SCHEMBL9528498

SCHEMBL9528498

CC(C)CCc1nc(C2CCCCC2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.42
AGTR2 P50052 9/20 0.42
BRS3 P32247 3/20 0.40
FOLH1 Q04609 1/20 0.39
MME P08473 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 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
SCHEMBL6006639 0.90 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL9528876 0.82 AGTR1 (0.46) AGTR1AGTR2BRS3FOLH1MME
SCHEMBL6007310 0.81 AGTR1 (0.64) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9738654 0.81 FOLH1 (0.42) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL6006975 0.80 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9739525 0.79 AGTR1 (0.54) AGTR1AGTR2MME
SCHEMBL6008277 0.79 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9532017 0.78 AGTR1 (0.55) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL6007046 0.78 AGTR1 (0.52) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9553045 0.78 BRS3 (0.47) AGTR1AGTR2BRS3LTB4R2

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