SCHEMBL6986446

SCHEMBL6986446

Cc1cc(F)ccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.71
AVPR1A P37288 10/20 0.71
OXTR P30559 2/20 0.50
AVPR1B P47901 1/20 0.48

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
SCHEMBL6984084 0.94 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL6993624 0.91 AVPR1A (0.66) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6988950 0.86 AVPR2 (0.60) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6990881 0.86 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6993693 0.85 AVPR1A (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6991600 0.85 AVPR1A (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6991947 0.85 AVPR1A (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989393 0.84 AVPR1A (0.66) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6994023 0.83 AVPR1A (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8797804 0.83 AVPR1A (1.00) AVPR2AVPR1AOXTRAVPR1B

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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed