SCHEMBL9528290

SCHEMBL9528290

CC#CCc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.49
AGTR2 P50052 12/20 0.49
FOLH1 Q04609 1/20 0.42
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL6004638 0.89 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9527916 0.87 AGTR1 (0.53) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9528355 0.85 FOLH1 (0.42) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL6008026 0.84 AGTR1 (0.55) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL6006048 0.82 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6005975 0.81 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL6007015 0.80 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9552037 0.80 AGTR1 (0.49) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL6006083 0.79 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL6005822 0.78 AGTR1 (0.60) 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