SCHEMBL9529471

SCHEMBL9529471

CCc1nc(C(=O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.39
AGTR2 P50052 8/20 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
SCHEMBL9528717 0.93 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9529631 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6006967 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6004462 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9527137 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9529383 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9529593 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529113 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9528705 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9531045 0.88 AGTR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed