SCHEMBL9874976

SCHEMBL9874976

CC(C)c1nnc(C(C)C)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.37
AGTR2 P50052 7/20 0.37
PPARG P37231 3/20 0.37

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
SCHEMBL9871672 0.93 PPARG (0.35) AGTR1AGTR2PPARG
SCHEMBL9874220 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9874091 0.87 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9873118 0.86 PPARG (0.35) AGTR1AGTR2PPARG
SCHEMBL9873384 0.86 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9873636 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9874500 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873002 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873131 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9872051 0.84 AGTR1 (0.38) AGTR1AGTR2

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