SCHEMBL4629963

SCHEMBL4629963

O=C=NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SIGMAR1 Q99720 7/20 0.49
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2D6 P10635 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRK1 P41145 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
CCR3 P51677 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8283763 0.77 MAOA (0.42) OPRM1OPRL1OPRK1
SCHEMBL3899837 0.75 CCR3 (0.59) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL8144091 0.74 MAOA (0.66) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4630573 0.74 OPRM1 (0.63) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
Hydrochloric Acid SCHEMBL6543428 0.73 MAOA (0.63) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12022949 0.71 OPRM1 (0.69) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL7406058 0.71 OPRL1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4631263 0.71 CYP2D6 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL7401723 0.70 POLB (0.66) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL15236204 0.70 ALDH1A1 (0.77) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101230008-A Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-07-30 CN disclosed
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
CN-1295221-C Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2007-01-17 CN disclosed
CN-1293063-C Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-03 CN disclosed
CN-1821241-A Substituted heterocyclic compounds, preparation method therefor and pharmaceutical compositions containing same SANOFI SA (FR) 2006-08-23 CN disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
CN-1636983-A Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2005-07-13 CN disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
CN-1202093-C Substituted heterocyclic compounds SANOFI AVENTIS (FR) 2005-05-18 CN disclosed
CN-1179954-C Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ��ŵ�Ѻϳ�ʵ���� 2004-12-15 CN disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
CN-1172483-A Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-02-04 CN disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed