SCHEMBL8796707

SCHEMBL8796707

O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.74
AVPR2 P30518 9/20 0.73
AVPR1B P47901 4/20 0.65
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL8796970 0.91 AVPR1A (0.73) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6988983 0.91 AVPR1A (0.79) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL6993277 0.90 AVPR2 (0.85) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL6991600 0.88 AVPR1A (0.58) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8797156 0.87 AVPR1A (0.73) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL8796809 0.87 AVPR1A (0.79) AVPR1AAVPR2AVPR1BLMNATP53
SCHEMBL8801105 0.86 AVPR2 (0.72) AVPR1AAVPR2AVPR1BALDH1A1LMNA
SCHEMBL6991283 0.85 AVPR1A (1.00) AVPR1AAVPR2AVPR1B
SCHEMBL8797804 0.84 AVPR1A (1.00) AVPR1AAVPR2AVPR1B
SCHEMBL8796903 0.84 AVPR1A (0.74) AVPR1AAVPR2AVPR1BMEN1KMT2A

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