SCHEMBL13619452

SCHEMBL13619452

COC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)cc3ccn(Cc4cc5ccccc5cn4)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CNR2 P34972 2/20 0.36
MCHR1 Q99705 4/20 0.35
PTGER4 P35408 1/20 0.35
RORC P51449 1/20 0.35
USP30 Q70CQ3 1/20 0.34
GLS O94925 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CYP3A5 P20815 1/20 0.34
HTR4 Q13639 1/20 0.34
NPC1 O15118 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL987768 0.92 PTGER4 (0.41) DRD2DRD4CNR2MCHR1PTGER4
SCHEMBL12584912 0.91 DRD2 (0.39) DRD2DRD4CNR2PTGER4USP30
SCHEMBL12584911 0.90 DRD2 (0.40) DRD2DRD4USP30HTR4NPC1
SCHEMBL12584739 0.89 CKS1B (0.38) DRD2DRD4CNR2MCHR1PTGER4
SCHEMBL12584423 0.88 DRD2 (0.41) DRD2DRD4CNR2PTGER4USP30
SCHEMBL13619639 0.88 DRD2 (0.39) DRD2DRD4USP30HTR4NPC1
SCHEMBL12584417 0.88 DRD2 (0.41) DRD2DRD4CNR2USP30HTR4
SCHEMBL987770 0.88 CYP3A5 (0.36) DRD2DRD4CNR2MCHR1RORC
SCHEMBL12584239 0.88 MCHR1 (0.38) DRD2DRD4MCHR1PTGER4HTR4
SCHEMBL12584935 0.88 CNR2 (0.39) CNR2PTGER4

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