SCHEMBL9529490

SCHEMBL9529490

CC(C)Cc1nc(C(=O)CC2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.42
AGTR2 P50052 6/20 0.42
USP1 O94782 1/20 0.35
PPARG P37231 3/20 0.35
PDE6D O43924 1/20 0.33

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
SCHEMBL9529547 0.91 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9527802 0.89 AGTR1 (0.43) AGTR1AGTR2PPARGPDE6D
SCHEMBL9527847 0.88 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9527108 0.88 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9527701 0.88 AGTR1 (0.36) AGTR1AGTR2USP1PPARG
SCHEMBL9553159 0.88 TRPV1 (0.36) AGTR1AGTR2USP1PPARG
SCHEMBL9529476 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9529277 0.87 AGTR1 (0.37) AGTR1AGTR2USP1PPARG
SCHEMBL9528537 0.86 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL9528393 0.86 AGTR1 (0.36) 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