SCHEMBL4292530

SCHEMBL4292530

CCOc1cc(OCCC2CCCN2)ccc1-c1cccc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.39
NOS1 P29475 12/20 0.39
NOS2 P35228 12/20 0.39
CHEK2 O96017 1/20 0.37
PRKCZ Q05513 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL4018111 0.91 NOS1 (0.44) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL4282777 0.89 IRAK4 (0.39) NOS3NOS1NOS2CHEK2PRKCZ
SCHEMBL4012567 0.86 NOS3 (0.38) NOS3NOS1NOS2CHEK2PRKCZ
SCHEMBL3404577 0.85 CHRNB4 (0.39) NOS3NOS1NOS2CHEK2PRKCZ
SCHEMBL4292393 0.84 NOS3 (0.40) NOS3NOS1NOS2CHEK2PRKCZ
SCHEMBL419970 0.82 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL221745 0.82 FPR2 (0.39) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL252496 0.79 NOS1 (0.42) NOS3NOS1NOS2
SCHEMBL6582950 0.79 NOS3 (0.62) NOS3NOS1NOS2
SCHEMBL222427 0.77 NOS3 (0.48) NOS3NOS1NOS2

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-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed