SCHEMBL9874838

SCHEMBL9874838

CC(C)c1nc2c(C(C)c3ccccc3)nnc(C(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
PPARG P37231 3/20 0.46

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
SCHEMBL9874475 0.94 PPARG (0.44) PPARG
SCHEMBL9871823 0.90 PPARG (0.48) PPARG
SCHEMBL9873749 0.86 PPARG (0.46) PPARG
SCHEMBL9872927 0.85 AGTR1 (0.48) AGTR1PPARG
SCHEMBL9874528 0.85 AGTR2 (0.61) AGTR1
SCHEMBL9872873 0.83 PPARG (0.46) AGTR1PPARG
SCHEMBL9874893 0.83 AGTR1 (0.55) AGTR1PPARG
SCHEMBL9872021 0.82 PPARG (0.50) AGTR1PPARG
SCHEMBL9873021 0.82 AGTR1 (0.51) AGTR1PPARG
SCHEMBL9873994 0.82 PPARG (0.48) AGTR1PPARG

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