SCHEMBL13619264

SCHEMBL13619264

COC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc3ccn(Cc4cc5ccccc5s4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CXCR6 O00574 1/20 0.38
NPY5R Q15761 7/20 0.38
FAAH O00519 1/20 0.37
HTR4 Q13639 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 2/20 0.36
GNRHR P30968 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL12584691 0.91 DRD2 (0.40) DRD2DRD4CXCR6NPY5RFAAH
SCHEMBL987416 0.91 NPY5R (0.41) DRD2DRD4NPY5RFAAHNPC1
SCHEMBL28795038 0.91 NPY5R (0.41) DRD2DRD4NPY5RFAAHNPC1
SCHEMBL2031203 0.86 CXCR6 (0.36) DRD2DRD4CXCR6NPY5RFAAH
SCHEMBL12948849 0.84 RAB9A (0.44) DRD2DRD4HTR4HCRTR1HCRTR2
SCHEMBL12584224 0.82 DRD2 (0.44) DRD2DRD4FAAHHTR4HDAC3
SCHEMBL12584296 0.81 MEN1 (0.43) DRD2DRD4NPY5RHTR4CNR2
SCHEMBL12583874 0.81 MEN1 (0.43) DRD2DRD4NPY5RHTR4CNR2
SCHEMBL12584417 0.81 DRD2 (0.41) DRD2DRD4HTR4CNR2NPC1
SCHEMBL12584324 0.79 KLK1 (0.49) DRD2

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed