SCHEMBL9873368

SCHEMBL9873368

Cc1nc2c(OC(C)C)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 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
SCHEMBL9873664 0.94 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL9874290 0.90 PPARG (0.44) PPARG
SCHEMBL9872268 0.90 PPARG (0.50) PPARG
SCHEMBL9873464 0.89 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9874135 0.88 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9871788 0.88 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9874964 0.87 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL9872903 0.87 PPARG (0.45) PPARGAGTR2
SCHEMBL9872993 0.86 AGTR1 (0.45) PPARGAGTR1AGTR2
SCHEMBL9872720 0.86 PPARG (0.45) 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