SCHEMBL9528876

SCHEMBL9528876

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.46
AGTR2 P50052 12/20 0.46
FOLH1 Q04609 1/20 0.46
BRS3 P32247 1/20 0.44
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MME P08473 2/20 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
SCHEMBL6007173 0.89 AGTR1 (0.59) AGTR1AGTR2BRS3
SCHEMBL9739525 0.85 AGTR1 (0.54) AGTR1AGTR2MME
SCHEMBL9532017 0.83 AGTR1 (0.55) AGTR1AGTR2FOLH1BRS3LTB4R
SCHEMBL9528498 0.82 AGTR1 (0.42) AGTR1AGTR2FOLH1BRS3LTB4R
SCHEMBL9749873 0.82 FOLH1 (0.48) AGTR1AGTR2FOLH1BRS3LTB4R
SCHEMBL6005835 0.79 AGTR1 (0.59) AGTR1AGTR2BRS3
SCHEMBL6004585 0.78 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL6006974 0.78 AGTR1 (0.60) AGTR1AGTR2BRS3
SCHEMBL6008006 0.78 AGTR1 (0.60) AGTR1AGTR2BRS3
SCHEMBL6007460 0.77 AGTR1 (0.63) 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