SCHEMBL9874245

SCHEMBL9874245

CC(C)(C)Cc1nc2c(OC3CCCCC3)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42

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
SCHEMBL9873385 0.94 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL9872812 0.91 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL9872025 0.89 AGTR2 (0.54) AGTR1AGTR2
SCHEMBL9873325 0.88 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9874013 0.87 PPARG (0.46) PPARG
SCHEMBL9874477 0.87 PPARG (0.49) PPARG
SCHEMBL9873192 0.87 PPARG (0.51) PPARG
SCHEMBL9873113 0.87 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL9873033 0.86 PPARG (0.46) PPARG
SCHEMBL9871046 0.86 AGTR1 (0.43) PPARGAGTR1AGTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed