SCHEMBL9529436

SCHEMBL9529436

C=CCCc1nc(C(F)(F)CC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.40
AGTR2 P50052 5/20 0.40

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
SCHEMBL8111205 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9699590 0.92 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9528967 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8103846 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9532691 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8109404 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9528736 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527246 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8105598 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8105227 0.88 AGTR1 (0.49) 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