SCHEMBL8882891

SCHEMBL8882891

CCOc1ccc2[nH]c(=O)n(C3CCCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
PGR P06401 8/20 0.53
ALDH1A1 P00352 2/20 0.51
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
CHRM5 P08912 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRL1 P41146 2/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR1 Q9BXC0 1/20 0.44

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
SCHEMBL8885548 1.00 OPRM1 (0.53) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8883187 0.99 OPRM1 (0.54) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL5385477 0.89 OPRM1 (0.53) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8884216 0.89 CHRM1 (0.60) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8885981 0.87 OPRM1 (0.47) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8884325 0.87 PGR (0.50) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8885952 0.86 OPRM1 (0.46) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8883635 0.86 PGR (0.56) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8884294 0.83 PGR (0.56) OPRM1PGRALDH1A1CHRM2CHRM4
SCHEMBL8884310 0.83 OPRM1 (0.52) OPRM1ALDH1A1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed