SCHEMBL9872113

SCHEMBL9872113

CC(C)(C)Cc1nc2cnncc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.74
AGTR2 P50052 2/20 0.74
PPARG P37231 14/20 0.60

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
SCHEMBL9853641 0.85 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL8391777 0.85 PPARG (0.64) AGTR1AGTR2PPARG
SCHEMBL9873585 0.85 AGTR2 (0.54) AGTR1AGTR2PPARG
SCHEMBL9874652 0.84 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL9872679 0.82 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9873626 0.78 PPARG (0.54) PPARG
SCHEMBL9874561 0.78 PPARG (0.51) AGTR1AGTR2PPARG
SCHEMBL9874393 0.78 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9873192 0.77 PPARG (0.51) PPARG
SCHEMBL9874556 0.77 AGTR1 (0.62) AGTR1AGTR2PPARG

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