SCHEMBL9873585

SCHEMBL9873585

CC(C)(C)Cc1nc2cnnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.54
AGTR1 P30556 4/20 0.54
PPARG P37231 7/20 0.52
BRS3 P32247 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
SCHEMBL7854806 0.86 AGTR2 (0.74) AGTR2AGTR1PPARG
SCHEMBL9873192 0.86 PPARG (0.51) PPARG
SCHEMBL9871809 0.85 AGTR1 (0.54) AGTR2AGTR1PPARG
SCHEMBL9872113 0.85 AGTR1 (0.74) AGTR2AGTR1PPARG
SCHEMBL9872243 0.84 PPARG (0.51) PPARG
SCHEMBL9871947 0.83 PPARG (0.51) PPARG
SCHEMBL9872478 0.83 PPARG (0.51) AGTR2AGTR1PPARG
SCHEMBL9872766 0.83 AGTR1 (0.52) AGTR2AGTR1PPARG
SCHEMBL9873737 0.83 PPARG (0.51) PPARG
SCHEMBL9871949 0.83 PPARG (0.48) 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