SCHEMBL2940663

SCHEMBL2940663

Cc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CNC(=O)ON1CC(=O)N(C)c2cccc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.44
AVPR1A P37288 4/20 0.41
OXTR P30559 3/20 0.41

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
SCHEMBL2934738 0.89 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL1346540 0.89 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL2935190 0.82 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL2938034 0.80 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL2939638 0.79 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL1344819 0.78 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL2935640 0.77 AVPR2 (0.61) AVPR2
SCHEMBL2937308 0.76 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL2937137 0.76 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL2931288 0.75 AVPR2 (0.59) AVPR2

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-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed