SCHEMBL2933598

SCHEMBL2933598

Cc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CN

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.44
AVPR1A P37288 10/20 0.44
OXTR P30559 2/20 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
SCHEMBL2933594 0.86 AVPR1A (0.45) AVPR2AVPR1AOXTR
SCHEMBL1344249 0.84 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL6624184 0.82 AVPR1A (0.51) AVPR2AVPR1A
SCHEMBL7329926 0.80 AVPR1A (0.52) AVPR2AVPR1A
SCHEMBL7308830 0.77 AVPR1A (0.67) AVPR2AVPR1AOXTR
SCHEMBL8314597 0.76 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL1346540 0.76 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL1346004 0.75 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8316867 0.74 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL7332351 0.74 AVPR2 (0.62) 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
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed