SCHEMBL9532017

SCHEMBL9532017

CC(C)CCc1nc(CC(C)C)n(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.55
AGTR2 P50052 13/20 0.55
BRS3 P32247 1/20 0.43
FOLH1 Q04609 1/20 0.43
DHODH Q02127 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL6008026 0.89 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL6007214 0.89 AGTR1 (0.68) AGTR1AGTR2BRS3
SCHEMBL9739525 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9528902 0.86 AGTR1 (0.49) AGTR1AGTR2BRS3FOLH1DHODH
SCHEMBL9528876 0.83 AGTR1 (0.46) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL9736561 0.83 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL6008006 0.83 AGTR1 (0.60) AGTR1AGTR2BRS3
SCHEMBL9736606 0.82 AGTR1 (0.42) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL9736608 0.82 AGTR1 (0.42) AGTR1AGTR2BRS3FOLH1LTB4R
SCHEMBL9738059 0.82 AGTR1 (0.50) AGTR1AGTR2FOLH1DHODHLTB4R

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