SCHEMBL8797250

SCHEMBL8797250

COc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1C

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.80
AVPR1B P47901 16/20 0.80
AVPR2 P30518 13/20 0.60
OXTR P30559 1/20 0.52
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8796741 0.88 AVPR1A (0.73) AVPR1AAVPR1BAVPR2
SCHEMBL8796709 0.84 AVPR1A (0.70) AVPR1AAVPR1BAVPR2
SCHEMBL6989046 0.83 AVPR1A (1.00) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7346547 0.79 AVPR1A (0.73) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7019432 0.79 AVPR1A (0.65) AVPR1AAVPR1BAVPR2
SCHEMBL8796584 0.79 AVPR1A (0.61) AVPR1AAVPR1BAVPR2
SCHEMBL8741346 0.79 AVPR1A (0.81) AVPR1AAVPR1BAVPR2
SCHEMBL8796878 0.79 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7014029 0.78 AVPR1A (0.59) AVPR1AAVPR1BAVPR2
SCHEMBL7020907 0.78 AVPR1A (0.63) AVPR1AAVPR1BAVPR2

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