SCHEMBL9872906

SCHEMBL9872906

CC(C)(C)Cc1nc2c(C3CCCCC3=O)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.35
AGTR2 P50052 11/20 0.35
PPARG P37231 2/20 0.32

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
SCHEMBL9872282 0.89 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9874392 0.89 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9874944 0.89 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9873818 0.87 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL9873131 0.86 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9874043 0.86 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9872965 0.85 PPARG (0.42) AGTR1AGTR2PPARG
SCHEMBL9879648 0.83 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9872139 0.83 PPARG (0.34) AGTR1AGTR2PPARG
SCHEMBL9872553 0.83 AGTR1 (0.34) 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