SCHEMBL9874034

SCHEMBL9874034

CC(C)c1nc2c(-c3ccccc3)nnc(-c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.37
AGTR1 P30556 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL9874661 0.93 AGTR2 (0.35) AGTR2PPARG
SCHEMBL9873359 0.87 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL9873118 0.85 PPARG (0.35) AGTR2AGTR1PPARG
SCHEMBL9873834 0.85 AGTR1 (0.35) AGTR2AGTR1
SCHEMBL9873122 0.85 AGTR1 (0.35) AGTR2AGTR1
SCHEMBL9874719 0.84 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9873445 0.84 AGTR1 (0.33) AGTR2AGTR1
SCHEMBL9873778 0.84 AGTR1 (0.33) AGTR2AGTR1PPARG
SCHEMBL9873127 0.83 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL9875029 0.83 AGTR1 (0.38) AGTR2AGTR1

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