SCHEMBL5779854

SCHEMBL5779854

O=c1[nH]cccc1CN1CCC(c2ccccc2OCC2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.40
RBP4 P02753 2/20 0.39
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2C P28335 1/20 0.37
CXCR4 P61073 1/20 0.37
DCPS Q96C86 2/20 0.37
CYP2D6 P10635 1/20 0.37
DRD4 P21917 1/20 0.37
DRD2 P14416 1/20 0.37

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
Oxalic Acid SCHEMBL5780456 0.95 PTGDR2 (0.43) MEN1KMT2APTGDR2RBP4MAPT
SCHEMBL5777663 0.91 CXCR4 (0.43) MAPTCCR8KCNH2CXCR4DCPS
Oxalic Acid SCHEMBL5778829 0.86 MEN1 (0.46) MEN1KMT2AMAPTCCR8KCNH2
SCHEMBL5784012 0.85 MAPT (0.40) MEN1KMT2AMAPTSLC6A2SLC6A4
SCHEMBL5780290 0.85 KCNH2 (0.42) MAPTKCNH2CXCR4DCPS
SCHEMBL5781590 0.84 KCNH2 (0.43) MAPTKCNH2DCPSCYP2D6
SCHEMBL5778916 0.84 DCPS (0.36) MAPTCCR8KCNH2CXCR4DCPS
SCHEMBL5779805 0.82 HPGD (0.37) MAPTCCR8KCNH2CXCR4DCPS
SCHEMBL5782084 0.81 DCPS (0.50) MEN1KMT2AMAPTCXCR4DCPS
SCHEMBL5779389 0.81 DCPS (0.50) MAPTDCPSCYP2D6

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP claimed