SCHEMBL9529383

SCHEMBL9529383

CC(C)Cc1nc(C(=O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.47
AGTR2 P50052 7/20 0.47
PPARG P37231 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL9529113 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9529476 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6007939 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9529471 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527208 0.90 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9530593 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9528717 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9530629 0.88 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL6006967 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9528705 0.86 AGTR1 (0.35) AGTR1AGTR2PPARGPTGDR2

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 3 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
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US 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