SCHEMBL4631314

SCHEMBL4631314

CN(CC1(Cc2ccccc2)CCNCC1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.45
OPRM1 P35372 4/20 0.45
HTR2C P28335 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 2/20 0.34
TACR1 P25103 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7749207 0.92 OPRL1 (0.39) OPRL1OPRM1HTR2CTSHRALDH1A1
SCHEMBL4631255 0.80 POLB (0.47) OPRL1TSHRALDH1A1KMT2AMEN1
SCHEMBL374167 0.77 DUT (0.46) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL4630532 0.77 OPRM1 (0.44) OPRL1OPRM1TSHRALDH1A1KMT2A
SCHEMBL7498000 0.77 TSHR (0.49) OPRL1OPRM1TSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7750427 0.76 OPRM1 (0.43) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL7749211 0.75 ALDH1A1 (0.40) OPRL1OPRM1TSHRALDH1A1KMT2A
SCHEMBL4631784 0.73 OPRM1 (0.48) OPRL1OPRM1ALDH1A1KMT2AMEN1
SCHEMBL7749154 0.71 OPRM1 (0.41) OPRL1OPRM1TSHRALDH1A1KMT2A
SCHEMBL23083579 0.71 MAOA (0.47) OPRL1OPRM1TSHRALDH1A1KMT2A

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 8 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
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP 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