SCHEMBL9529330

SCHEMBL9529330

CC/C=C/c1nc(C2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.34
AGTR2 P50052 6/20 0.34
CDC7 O00311 1/20 0.33
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
SCHEMBL9529341 1.00 AGTR1 (0.34) AGTR1AGTR2CDC7LTB4R2
SCHEMBL9528151 0.87 AGTR1 (0.37) AGTR1AGTR2CDC7
SCHEMBL9528155 0.87 AGTR1 (0.37) AGTR1AGTR2CDC7
SCHEMBL9529263 0.85 AGTR1 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL9529259 0.85 AGTR1 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL9527626 0.85 AGTR1 (0.40) AGTR1AGTR2CDC7
SCHEMBL9529496 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9529158 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529165 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8105591 0.84 AGTR1 (0.36) 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