SCHEMBL9723555

SCHEMBL9723555

CCn1nc(CS)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 2/20 0.39

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
SCHEMBL9553370 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9552156 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552098 0.92 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9552366 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9552754 0.90 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9552425 0.90 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9552119 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9553672 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9552867 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9552046 0.89 CNR2 (0.43) AGTR1AGTR2

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
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed