SCHEMBL8820009

SCHEMBL8820009

Cc1ccccc1C(=S)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ncccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.50
AVPR1A P37288 4/20 0.50
OXTR P30559 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL8557173 0.88 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8820812 0.82 AVPR2 (0.52) AVPR2AVPR1ATP53
SCHEMBL8559251 0.78 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7342405 0.78 AVPR1A (0.48) AVPR2AVPR1AOXTR
SCHEMBL8559586 0.78 AVPR2 (0.46) AVPR2AVPR1AOXTR
SCHEMBL8317700 0.77 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8820852 0.76 AVPR2 (0.49) AVPR2AVPR1ATP53
SCHEMBL8317838 0.76 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8556386 0.75 BCHE (0.52) AVPR2AVPR1AOXTR
SCHEMBL8563255 0.74 AVPR2 (0.59) AVPR2AVPR1AOXTR

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
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed