SCHEMBL9723488

SCHEMBL9723488

C#CCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 2/20 0.34
BRS3 P32247 3/20 0.32
SLC33A1 O00400 1/20 0.31

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
SCHEMBL9553127 0.92 AGTR1 (0.42) AGTR1AGTR2BRS3SLC33A1
SCHEMBL9552218 0.91 AGTR1 (0.35) AGTR1
SCHEMBL9553043 0.89 AGTR1 (0.49) AGTR1AGTR2SLC33A1
SCHEMBL9553115 0.88 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9552228 0.87 AGTR1 (0.44) AGTR1AGTR2BRS3SLC33A1
SCHEMBL9552712 0.87 AGTR1 (0.41) AGTR1AGTR2BRS3SLC33A1
SCHEMBL9552530 0.87 AGTR1 (0.43) AGTR1AGTR2BRS3SLC33A1
SCHEMBL9529100 0.87 AGTR1 (0.42) AGTR1AGTR2BRS3
SCHEMBL9552814 0.87 AGTR1 (0.53) AGTR1AGTR2SLC33A1
SCHEMBL9553300 0.87 AGTR1 (0.35) AGTR1AGTR2SLC33A1

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