SCHEMBL9871795

SCHEMBL9871795

CC(C)c1nc2c(OC(=O)C3CCCCC3)nnc(OC(=O)C3CCCCC3)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
PPARG P37231 5/20 0.42

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
SCHEMBL9871981 0.94 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9871848 0.89 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9871825 0.89 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9873938 0.87 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9873268 0.86 PPARG (0.45) PPARG
SCHEMBL9874116 0.86 PPARG (0.44) AGTR1AGTR2PPARG
SCHEMBL9873175 0.85 PPARG (0.38) AGTR1AGTR2PPARG
SCHEMBL9873625 0.85 AGTR2 (0.55) AGTR1AGTR2
SCHEMBL9873708 0.85 PPARG (0.44) AGTR1PPARG
SCHEMBL9871046 0.85 AGTR1 (0.43) 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