SCHEMBL9529008

SCHEMBL9529008

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.40
AGTR2 P50052 15/20 0.40
PPARG P37231 1/20 0.37

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
SCHEMBL9527289 0.95 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9530095 0.92 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9531045 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528776 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9528282 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9528705 0.89 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9532036 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9552807 0.87 AGTR1 (0.39) AGTR1PPARG
SCHEMBL9530629 0.87 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9528417 0.86 AGTR1 (0.43) 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 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