SCHEMBL9529308

SCHEMBL9529308

CC/C=C/c1nc(C(CCCC)(OC)OC)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.40
AGTR2 P50052 12/20 0.40
FOLH1 Q04609 1/20 0.36

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
SCHEMBL9529312 1.00 AGTR1 (0.40) AGTR1AGTR2FOLH1
SCHEMBL6004544 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6004548 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6008004 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6007998 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9529410 0.84 FOLH1 (0.41) AGTR1AGTR2FOLH1
SCHEMBL9529405 0.84 FOLH1 (0.41) AGTR1AGTR2FOLH1
SCHEMBL6007466 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6007469 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8105755 0.81 AGTR1 (0.51) 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