SCHEMBL9532242

SCHEMBL9532242

CCC(C)c1nc(CC2CCCCC2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.41
AGTR1 P30556 6/20 0.40
AGTR2 P50052 5/20 0.40
FOLH1 Q04609 1/20 0.39
MME P08473 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
SCHEMBL6004555 0.90 AGTR1 (0.50) BRS3AGTR1AGTR2MME
SCHEMBL6005760 0.83 BRS3 (0.51) BRS3AGTR1AGTR2MME
SCHEMBL9741307 0.82 AGTR1 (0.51) AGTR1AGTR2MME
SCHEMBL9737737 0.80 BRS3 (0.42) BRS3AGTR1AGTR2FOLH1MME
SCHEMBL9531976 0.78 AGTR1 (0.40) AGTR1AGTR2FOLH1
SCHEMBL6005810 0.78 AGTR1 (0.45) BRS3AGTR1AGTR2MME
SCHEMBL9528902 0.78 AGTR1 (0.49) BRS3AGTR1AGTR2FOLH1MME
SCHEMBL9529366 0.77 AGTR1 (0.38) BRS3AGTR1AGTR2MME
SCHEMBL6007714 0.77 AGTR1 (0.47) BRS3AGTR1AGTR2
SCHEMBL6007277 0.77 AGTR1 (0.54) 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