SCHEMBL9871103

SCHEMBL9871103

Cc1nnc(C)c2c1nc(C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.42
AGTR2 P50052 8/20 0.42
TLR7 Q9NYK1 1/20 0.37
PDE10A Q9Y233 1/20 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
SCHEMBL9873122 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9871897 0.87 AGTR1 (0.41) AGTR1AGTR2TLR7PDE10A
SCHEMBL9873002 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9873097 0.87 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL9873895 0.86 AGTR1 (0.40) AGTR1AGTR2PDE10A
SCHEMBL9873841 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9871966 0.86 AGTR1 (0.40) AGTR1AGTR2TLR7PDE10A
SCHEMBL9874627 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9873121 0.86 AGTR1 (0.38) AGTR1AGTR2PDE10A
SCHEMBL9873359 0.85 AGTR2 (0.39) AGTR1AGTR2TLR7PDE10A

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