SCHEMBL9530302

SCHEMBL9530302

CCCCC(=O)c1nc(CC)n(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.47
AGTR2 P50052 13/20 0.47
FOLH1 Q04609 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL9737230 0.94 FOLH1 (0.44) AGTR1AGTR2FOLH1
SCHEMBL6005831 0.89 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9552629 0.86 FOLH1 (0.43) AGTR1AGTR2FOLH1LTB4R2
SCHEMBL9529085 0.85 FOLH1 (0.45) AGTR1AGTR2FOLH1
SCHEMBL9738591 0.85 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6007873 0.83 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6006044 0.82 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL6004436 0.82 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9735863 0.82 FOLH1 (0.39) AGTR1AGTR2FOLH1
SCHEMBL6008089 0.82 AGTR1 (0.69) 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