SCHEMBL6992837

SCHEMBL6992837

Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(=O)c4sccc43)c(Cl)c2)c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.57
AVPR1A P37288 12/20 0.57
AVPR1B P47901 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
ABCB11 O95342 1/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
GLP1R P43220 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 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
SCHEMBL6991662 0.95 AVPR1A (0.58) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6989777 0.92 AVPR2 (0.58) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6987427 0.89 AVPR1A (0.59) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6995599 0.87 AVPR1A (0.56) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6993364 0.85 AVPR1A (0.57) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6989072 0.82 AVPR1A (0.55) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6990881 0.81 AVPR2 (0.59) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8796809 0.80 AVPR1A (0.79) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6993361 0.80 AVPR2 (0.57) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL5321445 0.79 AVPR1A (0.75) AVPR2AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed