SCHEMBL9528524

SCHEMBL9528524

CCC#Cc1nc(CCC2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 6/20 0.40
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL9528577 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9528540 0.87 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9529337 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9528328 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9532420 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527276 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9700836 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527487 0.85 AGTR1 (0.34) AGTR1AGTR2LTB4R2
SCHEMBL9529063 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9529437 0.85 AGTR1 (0.39) 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