SCHEMBL8819852

SCHEMBL8819852

CSc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3sccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.58
AVPR1A P37288 12/20 0.51
AVPR1B P47901 3/20 0.47
OXTR P30559 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
SCHEMBL8820741 0.89 AVPR2 (0.72) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8819707 0.87 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL8820810 0.82 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL8819380 0.82 AVPR2 (0.58) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8819397 0.80 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8820744 0.79 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8819468 0.78 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8819621 0.78 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8819981 0.77 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8820801 0.75 AVPR2 (0.50) AVPR2AVPR1AAVPR1B

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