SCHEMBL9872965

SCHEMBL9872965

CC(C)(C)Cc1nc2c(C3CCCCC3=O)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
AGTR2 P50052 2/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL9872161 0.95 AGTR2 (0.43) PPARGAGTR2AGTR1
SCHEMBL9873113 0.89 AGTR1 (0.46) PPARGAGTR2AGTR1
SCHEMBL9874543 0.89 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9873192 0.86 PPARG (0.51) PPARG
SCHEMBL9874694 0.86 AGTR1 (0.43) PPARGAGTR2AGTR1
SCHEMBL9872906 0.85 AGTR1 (0.35) PPARGAGTR2AGTR1
SCHEMBL9873425 0.85 AGTR1 (0.51) PPARGAGTR2AGTR1
SCHEMBL9879625 0.83 AGTR1 (0.47) PPARGAGTR2AGTR1
SCHEMBL9873076 0.83 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL9874245 0.82 PPARG (0.42) PPARGAGTR2AGTR1

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