SCHEMBL9873428

SCHEMBL9873428

Cc1nc2c(-c3ccccc3)nnc(-c3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49

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
SCHEMBL9875068 0.93 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL9873295 0.87 PPARG (0.48) PPARG
SCHEMBL9874062 0.86 PPARG (0.54) PPARG
SCHEMBL9873197 0.85 PPARG (0.50) PPARG
SCHEMBL9873151 0.84 AGTR2 (0.66) AGTR1AGTR2
SCHEMBL9871788 0.84 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9874055 0.84 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL9874279 0.83 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9871620 0.83 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9873534 0.82 PPARG (0.53) PPARG

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