SCHEMBL9874484

SCHEMBL9874484

CC(C)c1nc2c(CCc3ccccc3)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46

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
SCHEMBL9874840 0.94 PPARG (0.48) PPARG
SCHEMBL9873471 0.93 PPARG (0.52) PPARG
SCHEMBL9874939 0.91 PPARG (0.47) PPARG
SCHEMBL9873994 0.90 PPARG (0.48) PPARG
SCHEMBL9872887 0.88 PPARG (0.49) PPARG
SCHEMBL9873748 0.87 AGTR1 (0.48) PPARG
SCHEMBL9873749 0.87 PPARG (0.46) PPARG
SCHEMBL9874681 0.87 PPARG (0.48) PPARG
SCHEMBL9873871 0.86 PPARG (0.46) PPARG
SCHEMBL9874095 0.86 PPARG (0.49) PPARG

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