SCHEMBL9872168

SCHEMBL9872168

CC(=O)Oc1nnc(OC(C)=O)c2c1nc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 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
SCHEMBL9874135 0.93 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9873859 0.90 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9874291 0.88 PPARG (0.52) PPARG
SCHEMBL9873268 0.88 PPARG (0.45) PPARG
SCHEMBL9873496 0.87 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL9873840 0.86 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL9871056 0.86 PPARG (0.47) PPARG
SCHEMBL9871848 0.86 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9874174 0.85 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9873664 0.85 PPARG (0.48) 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