SCHEMBL8316941

SCHEMBL8316941

Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3sccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.63
AVPR2 P30518 8/20 0.63
AVPR1B P47901 1/20 0.51

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
SCHEMBL7331566 0.92 AVPR1A (0.75) AVPR1AAVPR2AVPR1B
SCHEMBL8316290 0.91 AVPR1A (0.56) AVPR1AAVPR2AVPR1B
SCHEMBL8313230 0.90 AVPR1A (0.64) AVPR1AAVPR2AVPR1B
SCHEMBL8315187 0.90 AVPR2 (0.60) AVPR1AAVPR2
SCHEMBL7333980 0.89 AVPR1A (0.65) AVPR1AAVPR2AVPR1B
SCHEMBL8312688 0.89 AVPR1A (0.62) AVPR1AAVPR2AVPR1B
SCHEMBL8317380 0.87 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL8314290 0.86 AVPR1A (0.54) AVPR1AAVPR2AVPR1B
SCHEMBL8314165 0.86 AVPR1A (0.57) AVPR1AAVPR2AVPR1B
SCHEMBL8318009 0.85 AVPR1A (0.65) AVPR1AAVPR2AVPR1B

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed