SCHEMBL9528359

SCHEMBL9528359

CC/C=C/c1nc(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 0.39
AGTR2 P50052 6/20 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
SCHEMBL9528363 1.00 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8105678 0.95 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8105679 0.95 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9529120 0.92 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9529129 0.92 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9529022 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9529032 0.89 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9529205 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9529214 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9527327 0.87 AGTR1 (0.35) 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