SCHEMBL9872161

SCHEMBL9872161

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.43
AGTR1 P30556 2/20 0.43
PPARG P37231 5/20 0.43

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
SCHEMBL9872965 0.95 PPARG (0.42) AGTR2AGTR1PPARG
SCHEMBL9873076 0.88 AGTR2 (0.58) AGTR2AGTR1
SCHEMBL9873028 0.88 AGTR1 (0.48) AGTR2AGTR1PPARG
SCHEMBL9879625 0.87 AGTR1 (0.47) AGTR2AGTR1PPARG
SCHEMBL9872476 0.85 AGTR1 (0.44) AGTR2AGTR1PPARG
SCHEMBL9875220 0.85 AGTR1 (0.53) AGTR2AGTR1PPARG
SCHEMBL9873113 0.83 AGTR1 (0.46) AGTR2AGTR1PPARG
SCHEMBL9874543 0.83 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL9874694 0.80 AGTR1 (0.43) AGTR2AGTR1PPARG
SCHEMBL9872906 0.80 AGTR1 (0.35) AGTR2AGTR1PPARG

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