SCHEMBL9873385

SCHEMBL9873385

CC(C)(C)Cc1nc2c(OC3CCCCC3)nnc(OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
AGTR1 P30556 2/20 0.44
AGTR2 P50052 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
SCHEMBL9874245 0.94 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL9874116 0.89 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL9873440 0.88 AGTR2 (0.56) AGTR1AGTR2
SCHEMBL9874749 0.88 AGTR1 (0.49) PPARGAGTR1AGTR2
SCHEMBL9872812 0.85 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL9871825 0.85 AGTR1 (0.45) PPARGAGTR1AGTR2
SCHEMBL9872455 0.85 AGTR1 (0.54) PPARGAGTR1AGTR2
SCHEMBL9871056 0.85 PPARG (0.47) PPARG
SCHEMBL9873321 0.85 PPARG (0.51) PPARG
SCHEMBL9879625 0.84 AGTR1 (0.47) 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