SCHEMBL9872308

SCHEMBL9872308

CCCC(=O)c1nnc(C(=O)CCC)c2c1nc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51

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
SCHEMBL9873116 0.94 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL9871352 0.88 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL9873738 0.87 AGTR2 (0.63) AGTR1AGTR2
SCHEMBL9873257 0.86 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL9873514 0.84 AGTR1 (0.55) PPARGAGTR1AGTR2
SCHEMBL9871906 0.83 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9873534 0.82 PPARG (0.53) PPARG
SCHEMBL9873376 0.82 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9874062 0.81 PPARG (0.54) PPARG
SCHEMBL9873219 0.81 AGTR2 (0.60) AGTR1AGTR2

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