SCHEMBL9528557

SCHEMBL9528557

C#CCCc1nc(C(F)(F)CCCC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.45
AGTR2 P50052 6/20 0.45

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
SCHEMBL8110996 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9532355 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8096059 0.92 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8105322 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8095763 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9527361 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9528892 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8103532 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9530229 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8103728 0.88 AGTR1 (0.53) 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
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
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