SCHEMBL8317838

SCHEMBL8317838

Cc1ccccc1C(=S)Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.51
AVPR1A P37288 4/20 0.51
OXTR P30559 1/20 0.49

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
SCHEMBL7332351 0.91 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL8316530 0.86 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL8316867 0.85 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8315617 0.83 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL8317700 0.83 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8313254 0.83 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8314597 0.83 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL8313671 0.81 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL8313854 0.81 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8314472 0.81 AVPR2 (0.51) 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