SCHEMBL27769232

SCHEMBL27769232

CC[C@H](Cc1cc2cccnc2[nH]1)C(C)=N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
RIPK1 Q13546 13/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL27769213 1.00 DAO (0.40) DAORIPK1DRD2DRD4DRD3
SCHEMBL29587840 0.81 DAO (0.44) DAORIPK1DRD2DRD4DRD3
SCHEMBL27748121 0.79 DAO (0.40) DAORIPK1DRD2DRD4DRD3
SCHEMBL19646802 0.78 DRD2 (0.43) DAORIPK1DRD2DRD4DRD3
SCHEMBL4734771 0.77 DRD2 (0.47) DAORIPK1DRD2DRD4DRD3
SCHEMBL1939638 0.75 DRD2 (0.50) DAORIPK1DRD2DRD4DRD3
SCHEMBL17413481 0.75 DRD2 (0.45) DAORIPK1DRD2DRD4DRD3
SCHEMBL17407617 0.72 DRD2 (0.43) DAORIPK1DRD2DRD4DRD3
SCHEMBL7411386 0.72 DRD2 (0.49) DAORIPK1DRD2DRD4DRD3
SCHEMBL13543890 0.72 RIPK1 (0.58) DAORIPK1DRD2DRD4DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484454-A Azaindole derivatives with a combination of partial nicotinic acetylcholine receptor agonism and dopamine reuptake inhibition SOLVAY PHARM B V (NL) 2009-07-15 CN claimed
CN-101484454-A Azaindole derivatives with a combination of partial nicotinic acetylcholine receptor agonism and dopamine reuptake inhibition SOLVAY PHARM B V (NL) 2009-07-15 CN disclosed