SCHEMBL9873764

SCHEMBL9873764

CC(c1ccccc1)c1nnc(O)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
AGTR1 P30556 2/20 0.44

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
SCHEMBL9872927 0.94 AGTR1 (0.48) PPARGAGTR1
SCHEMBL9872798 0.92 PPARG (0.47) PPARG
SCHEMBL9873192 0.89 PPARG (0.51) PPARG
SCHEMBL9872095 0.88 AGTR2 (0.58) AGTR1
SCHEMBL9872873 0.87 PPARG (0.46) PPARGAGTR1
SCHEMBL9874475 0.86 PPARG (0.44) PPARG
SCHEMBL9872478 0.86 PPARG (0.51) PPARGAGTR1
SCHEMBL9871947 0.86 PPARG (0.51) PPARG
SCHEMBL9874887 0.86 PPARG (0.49) PPARG
SCHEMBL9873737 0.85 PPARG (0.51) 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