SCHEMBL8317185

SCHEMBL8317185

Cc1sccc1CC(=O)Nc1ccc(C(=O)N2Cc3nccn3Cc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.47
AVPR1A P37288 5/20 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
SCHEMBL8314207 0.88 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL8317232 0.85 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL8316301 0.85 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL8314671 0.84 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL8315962 0.84 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL8314673 0.82 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL9234962 0.80 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8317993 0.79 AVPR1A (0.47) AVPR2AVPR1A
SCHEMBL8313614 0.78 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL8312663 0.78 AVPR2 (0.52) AVPR2AVPR1A

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