SCHEMBL2933087

SCHEMBL2933087

Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(=O)[N]c2cccc(Cl)c21

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.59

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
SCHEMBL2937755 0.91 AVPR2 (0.65) AVPR2
SCHEMBL2939088 0.87 AVPR2 (0.60) AVPR2
SCHEMBL2931359 0.85 AVPR2 (0.65) AVPR2
SCHEMBL1345796 0.84 AVPR2 (0.58) AVPR2
SCHEMBL1345832 0.84 AVPR2 (0.60) AVPR2
SCHEMBL1344169 0.80 AVPR2 (0.64) AVPR2
SCHEMBL1345746 0.77 AVPR2 (0.64) AVPR2
SCHEMBL1344235 0.77 AVPR2 (0.64) AVPR2
SCHEMBL2937303 0.76 AVPR2 (0.56) AVPR2
SCHEMBL5228515 0.76 AVPR2 (0.89) 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 2 patents. 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
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP disclosed