SCHEMBL9873384

SCHEMBL9873384

Cc1nc2c(C(C)C)nnc(C(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
PPARG P37231 4/20 0.37
KCNH2 Q12809 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL9873792 0.93 AGTR1 (0.37) AGTR1AGTR2PPARGKCNH2
SCHEMBL9873118 0.90 PPARG (0.35) AGTR1AGTR2PPARGKCNH2
SCHEMBL9874976 0.86 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9874091 0.85 AGTR1 (0.51) AGTR1AGTR2PPARGKCNH2
SCHEMBL9871103 0.85 AGTR1 (0.42) AGTR1AGTR2PDE10A
SCHEMBL9874669 0.84 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9872325 0.84 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9874357 0.83 PPARG (0.35) AGTR1PPARGKCNH2
SCHEMBL9871897 0.83 AGTR1 (0.41) AGTR1AGTR2PDE10A
SCHEMBL9871966 0.82 AGTR1 (0.40) AGTR1AGTR2PDE10A

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