SCHEMBL4631604

SCHEMBL4631604

CCOC(=O)N(C)CC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPFFR1 Q9GZQ6 4/20 0.50
NPFFR2 Q9Y5X5 4/20 0.50
KMT2A Q03164 4/20 0.50
SIGMAR1 Q99720 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
OPRK1 P41145 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL4631201 0.84 BCHE (0.52) BCHEACHECYP3A4CYP2D6CYP2C9
SCHEMBL4630841 0.83 NPFFR1 (0.51) ACHECYP3A4CYP2D6NPFFR1NPFFR2
SCHEMBL4631784 0.82 OPRM1 (0.48) BCHEACHECYP2D6KMT2AL3MBTL1
SCHEMBL7749157 0.81 CYP3A4 (0.41) BCHEACHECYP3A4CYP2D6CYP2C9
SCHEMBL7749154 0.78 OPRM1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL2206046 0.77 SIGMAR1 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10500225 0.76 CYP2D6 (0.63) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4864670 0.76 L3MBTL1 (0.77) KMT2AL3MBTL1LMNAALDH1A1MEN1
SCHEMBL8136600 0.75 CYP2D6 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4631255 0.75 POLB (0.47) CYP3A4CYP2D6CYP2C9CYP2C19NPFFR1

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 27 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
CN-1321634-A Substd heterocyclic compounds preparing method thereof and pharmaceutical composition contg. them SANOFI SYNTHESIZING LAB (FR) 2001-11-14 CN disclosed
US-6242637-B1 USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US 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-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 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