SCHEMBL4631318

SCHEMBL4631318

COC(=O)NC1(c2ccccc2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
SSTR4 P31391 1/20 0.46
OPRL1 P41146 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.40
SLC6A9 P48067 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TTK P33981 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL27853653 0.90 OPRM1 (0.49) OPRM1SSTR4OPRL1POLBALDH1A1
SCHEMBL2231946 0.85 POLB (0.57) OPRM1SSTR4OPRL1POLBALDH1A1
SCHEMBL4631734 0.85 OPRM1 (0.62) OPRM1SSTR4POLBALDH1A1KDM4E
SCHEMBL3892253 0.85 OPRM1 (0.45) OPRM1SSTR4POLBALDH1A1MEN1
SCHEMBL7750039 0.85 CYP2C19 (0.43) OPRM1SSTR4OPRL1POLBALDH1A1
SCHEMBL6972395 0.85 OPRM1 (0.50) OPRM1SSTR4POLBALDH1A1HDAC1
Water SCHEMBL7751917 0.84 CYP2C19 (0.42) OPRM1SSTR4OPRL1POLBALDH1A1
Hydrochloric Acid SCHEMBL2479293 0.84 POLB (0.56) OPRM1SSTR4OPRL1POLBALDH1A1
Hydrochloric Acid SCHEMBL27552695 0.84 OPRM1 (0.44) OPRM1SSTR4POLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL7723494 0.83 OPRM1 (0.48) OPRM1SSTR4POLBALDH1A1HDAC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP 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-1254467-C Preparation method of 4-methylamino-4-phenylpiperidine SANOFI SYNTHELABO (FR) 2006-05-03 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-1527817-A Preparation method of 4-methylamino-4-phenylpiperidine ����ɳŵ��-����������˾ 2004-09-08 CN disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed