SCHEMBL14049720

SCHEMBL14049720

Nc1ccc2c(c1)CCC(=O)N2CCCCl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.65
CHRM1 P11229 7/20 0.43
DRD2 P14416 9/20 0.42
DRD4 P21917 9/20 0.42
DRD3 P35462 9/20 0.42
CHRM2 P08172 6/20 0.42
CHRM4 P08173 6/20 0.42
CHRM5 P08912 6/20 0.42
CHRM3 P20309 6/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
POLB P06746 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
SCHEMBL4100824 0.83 GRIN1 (0.49) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL4101050 0.83 CHRM1 (0.53) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL3599801 0.82 ATAD2 (0.68) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL16453538 0.82 ATAD2 (0.78) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL2676091 0.82 ATAD2 (0.60) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL4113104 0.82 ATAD2 (0.64) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL2676270 0.81 ATAD2 (0.59) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL2676076 0.80 ATAD2 (0.65) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL1764343 0.80 HDAC6 (0.52) ATAD2CHRM1DRD2DRD4DRD3
SCHEMBL2789852 0.80 ATAD2 (0.48) ATAD2CHRM1DRD2DRD4DRD3

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-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed