SCHEMBL9528852

SCHEMBL9528852

CCC=Cc1nc(C(=O)CCC)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
AGTR1 P30556 11/20 0.38
AGTR2 P50052 11/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PPARG P37231 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
SCHEMBL9528847 1.00 FOLH1 (0.41) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL6006991 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL6006988 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL6007016 0.84 AGTR1 (0.51) AGTR1AGTR2LTB4R2
SCHEMBL6007017 0.84 AGTR1 (0.51) AGTR1AGTR2LTB4R2
SCHEMBL9737230 0.84 FOLH1 (0.44) FOLH1AGTR1AGTR2
SCHEMBL6006132 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6006139 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9529405 0.81 FOLH1 (0.41) FOLH1AGTR1AGTR2LTB4RLTB4R2
SCHEMBL9529410 0.81 FOLH1 (0.41) FOLH1AGTR1AGTR2LTB4RLTB4R2

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