SCHEMBL9873708

SCHEMBL9873708

CC(C)c1nc2c(OC(=O)c3ccccc3)nnc(OC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
AGTR1 P30556 2/20 0.43

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
SCHEMBL9873417 0.94 AGTR1 (0.42) PPARGAGTR1
SCHEMBL9873268 0.91 PPARG (0.45) PPARG
SCHEMBL9873859 0.88 PPARG (0.47) PPARGAGTR1
SCHEMBL9874150 0.87 PPARG (0.48) PPARG
SCHEMBL9879537 0.86 PPARG (0.46) PPARG
SCHEMBL9873500 0.86 AGTR1 (0.47) PPARGAGTR1
SCHEMBL9874758 0.85 AGTR1 (0.48) PPARGAGTR1
SCHEMBL9871080 0.85 PPARG (0.43) PPARG
SCHEMBL9872247 0.85 AGTR1 (0.37) PPARGAGTR1
SCHEMBL9871795 0.85 AGTR1 (0.44) PPARGAGTR1

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