SCHEMBL27619331

SCHEMBL27619331

Cc1ccc2c(c1)CCC(=O)N2CCCCCCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD4 P21917 9/20 0.51
DRD3 P35462 9/20 0.51
CHRM1 P11229 7/20 0.51
CHRM2 P08172 6/20 0.51
CHRM4 P08173 6/20 0.51
CHRM5 P08912 6/20 0.51
CHRM3 P20309 6/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2B Q13224 3/20 0.51
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL5537272 0.84 DRD2 (0.52) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5542111 0.83 DRD2 (0.53) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL1763836 0.82 GRIN1 (0.51) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5544599 0.81 DRD2 (0.58) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL2676270 0.81 ATAD2 (0.59) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL27619326 0.81 CHRM1 (0.53) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL4100824 0.80 GRIN1 (0.49) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL2676091 0.80 ATAD2 (0.60) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL4103777 0.78 CHRM1 (0.75) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5539818 0.78 ATAD2 (0.54) DRD2DRD4DRD3CHRM1CHRM2

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-1635891-A Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARM INC (US) 2005-07-06 CN claimed
CN-1635891-A Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARM INC (US) 2005-07-06 CN disclosed