SCHEMBL9580916

SCHEMBL9580916

CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 13/20 0.56
AGTR1 P30556 12/20 0.56

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
SCHEMBL8088116 0.88 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL8095027 0.84 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL8089270 0.82 AGTR2 (0.59) AGTR2AGTR1
SCHEMBL9571366 0.82 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL8148278 0.81 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL9414232 0.80 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9422767 0.78 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9418318 0.75 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL9260642 0.75 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9443118 0.74 AGTR1 (0.52) AGTR2AGTR1

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-0561357-A1 Pharmaceutical composition comprising a potassium-channel-opener and an antagonist of angiotensin-II receptors MERCK PATENT GmbH (DE) 1993-09-22 EP disclosed