SCHEMBL8884294

SCHEMBL8884294

O=c1[nH]c2ccc(OC3CCCC3)cc2n1C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.56
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
OPRL1 P41146 3/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM5 P08912 1/20 0.44
KCNH2 Q12809 1/20 0.44
HCAR1 Q9BXC0 1/20 0.44
SLC18A3 Q16572 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
SCHEMBL8883635 0.86 PGR (0.56) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8882891 0.83 OPRM1 (0.53) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8885548 0.83 OPRM1 (0.53) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8883187 0.82 OPRM1 (0.54) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8884325 0.80 PGR (0.50) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL20358063 0.79 OPRM1 (0.55) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8884922 0.79 PGR (0.67) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL8886306 0.79 PGR (0.67) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4444156 0.79 CHRM1 (0.62) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL22191611 0.77 OPRM1 (0.64) PGRCHRM2CHRM4CHRM1CHRM3

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