SCHEMBL9529791

SCHEMBL9529791

CC(C)CCc1nc(C(=O)C2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.36
AGTR2 P50052 6/20 0.36
PPARG P37231 2/20 0.35

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
SCHEMBL9527802 0.92 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9527886 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9531952 0.90 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9530272 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9698178 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9529963 0.88 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9529003 0.88 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9552663 0.88 TRPV1 (0.36) AGTR1AGTR2
SCHEMBL6005839 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9530088 0.86 AGTR1 (0.34) AGTR1AGTR2PPARG

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