SCHEMBL9873118

SCHEMBL9873118

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.35
AGTR1 P30556 3/20 0.34
AGTR2 P50052 3/20 0.34
KCNH2 Q12809 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
SCHEMBL9874357 0.93 PPARG (0.35) PPARGAGTR1KCNH2
SCHEMBL9873384 0.90 AGTR1 (0.39) PPARGAGTR1AGTR2KCNH2
SCHEMBL9872063 0.90 AGTR1 (0.34) AGTR1
SCHEMBL9873834 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873122 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9874976 0.86 AGTR1 (0.37) PPARGAGTR1AGTR2
SCHEMBL9874719 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873445 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873778 0.85 AGTR1 (0.33) PPARGAGTR1AGTR2
SCHEMBL9874091 0.85 AGTR1 (0.51) PPARGAGTR1AGTR2KCNH2

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