SCHEMBL5699546

SCHEMBL5699546

O=C1CCC(=O)N(CCCCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.61
DRD3 P35462 11/20 0.61
DRD4 P21917 8/20 0.61
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
ADRB1 P08588 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD5 P21918 2/20 0.55
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
SIGMAR1 Q99720 1/20 0.52
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51

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
Fumaric Acid SCHEMBL3292912 0.92 DRD2 (0.56) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL4647284 0.85 DRD2 (0.62) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL3292187 0.83 DRD2 (0.72) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL5699586 0.82 DRD2 (0.60) DRD2DRD3DRD4ADRB2CHRM2
Hydrochloric Acid SCHEMBL3289369 0.81 DRD2 (0.58) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL3292683 0.81 DRD2 (0.58) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL3294390 0.81 DRD2 (0.62) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL3292626 0.81 DRD2 (0.52) DRD2DRD3DRD4CHRM2CHRM4
Hydrochloric Acid SCHEMBL3297784 0.81 GRIN1 (0.54) DRD2DRD3DRD4ADRB2CHRM2
Fumaric Acid SCHEMBL3291984 0.79 DRD2 (0.55) DRD2DRD3DRD4ADRB2CHRM2

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
EP-1692129-A1 KETO LACTAM COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2006-08-23 EP disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 WO disclosed