SCHEMBL9871732

SCHEMBL9871732

CC(C)(C)Cc1nc2c(OCc3ccccc3)nnc(OCc3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
BRS3 P32247 1/20 0.47

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
SCHEMBL9872739 0.94 PPARG (0.45) PPARGBRS3
SCHEMBL9875177 0.92 PPARG (0.49) PPARG
SCHEMBL9871249 0.90 PPARG (0.46) PPARGBRS3
SCHEMBL9873321 0.88 PPARG (0.51) PPARG
SCHEMBL9871081 0.88 PPARG (0.48) PPARG
SCHEMBL9872309 0.87 AGTR2 (0.61)
SCHEMBL9871056 0.87 PPARG (0.47) PPARG
SCHEMBL9874174 0.86 AGTR1 (0.48) PPARG
SCHEMBL9874330 0.86 PPARG (0.47) PPARG
SCHEMBL9871876 0.85 PPARG (0.46) 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