SCHEMBL8796809

SCHEMBL8796809

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.79
AVPR2 P30518 12/20 0.79
AVPR1B P47901 5/20 0.75
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
OXTR P30559 2/20 0.54
ABCB11 O95342 1/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
HTR2C P28335 1/20 0.53
HRH1 P35367 1/20 0.53
OPRM1 P35372 1/20 0.53
GLP1R P43220 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
GPR119 Q8TDV5 1/20 0.53

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
SCHEMBL8797804 0.88 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8796903 0.88 AVPR1A (0.74) AVPR1AAVPR2AVPR1BTP53CHRM1
SCHEMBL6991283 0.87 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8796707 0.87 AVPR1A (0.74) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8801105 0.86 AVPR2 (0.72) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8797156 0.86 AVPR1A (0.73) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8719654 0.86 AVPR2 (0.73) AVPR1AAVPR2OXTR
SCHEMBL6989046 0.85 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6993277 0.85 AVPR2 (0.85) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8796970 0.84 AVPR1A (0.73) AVPR1AAVPR2AVPR1BLMNATP53

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

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