SCHEMBL9528906

SCHEMBL9528906

CCCCCc1nc(C(=O)C2CCCCC2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.51
AGTR2 P50052 11/20 0.51
PPARG P37231 3/20 0.44

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
SCHEMBL6004745 0.91 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL6004742 0.88 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL6004915 0.84 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9741307 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL6005938 0.81 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9738591 0.81 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9698178 0.80 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL6006020 0.79 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL8105315 0.79 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9552403 0.79 LTB4R2 (0.51) AGTR1AGTR2PPARG

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