SCHEMBL16320283

SCHEMBL16320283

Ic1ccc[c]c1NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.35
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CDC7 O00311 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE5A O76074 1/20 0.31
ACP1 P24666 1/20 0.31
OGG1 O15527 1/20 0.31

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
SCHEMBL2374953 0.76 HPGD (0.46) L3MBTL1NPC1RAB9AALDH1A1LMNA
SCHEMBL2053980 0.69 KDM4E (0.46) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL3409550 0.68 KDM4E (0.58) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL16319417 0.66 KDM4E (0.46) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL16320285 0.66 KDM4E (0.42) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL2375290 0.66 KDM4E (0.35) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL16319389 0.65 MAPT (0.45) KDM4EGAAMAPTIDO1NPC1
SCHEMBL3108811 0.64 KDM4E (0.58) KDM4EGAAMAPTHSD17B10CTSK
SCHEMBL28455999 0.64 KDM4E (0.41) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL12616192 0.63 CTSK (0.47) KDM4EGAAMAPTHSD17B10IDO1

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-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed