SCHEMBL12876993

SCHEMBL12876993

Bc1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1OCCOC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 7/20 0.44
SLC6A4 P31645 6/20 0.43
YAP1 P46937 3/20 0.42
HTR1A P08908 5/20 0.41
CYP2D6 P10635 3/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL12128826 0.89 SLC6A4 (0.49) SCN9AKDM4EPKMGPR119SLC6A4
SCHEMBL11957394 0.88 SLC6A4 (0.50) SCN9AKDM4EPKMGPR119SLC6A4
SCHEMBL8837960 0.88 SLC6A4 (0.59) SCN9AKDM4EPKMSLC6A4HTR1A
SCHEMBL12876994 0.81 SLC6A4 (0.52) SLC6A4HTR1ACYP2D6
SCHEMBL11949143 0.80 GPR119 (0.45) SCN9AKDM4EPKMGPR119YAP1
SCHEMBL11949147 0.79 GPR119 (0.45) SCN9AKDM4EPKMGPR119SLC6A4
SCHEMBL8773592 0.79 SLC6A4 (0.47) SCN9AKDM4EPKMGPR119SLC6A4
SCHEMBL18310148 0.77 CYP2C9 (0.47) KDM4EPKMGPR119TLR7
SCHEMBL11956986 0.77 HTR1A (0.51) SCN9AKDM4EPKMGPR119SLC6A4
SCHEMBL13761147 0.76 KDM4E (0.51) KDM4EPKMGPR119YAP1

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-2011016468-A1 BENZYL PIPERIDINE COMPOUND 大日本住友製薬株式会社 (JP) 2011-02-10 WO disclosed