SCHEMBL8346388

SCHEMBL8346388

COC(=O)CCC(c1ccc2c(c1)OCC2)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OGA O60502 7/20 0.40
DPP4 P27487 1/20 0.38
BMP1 P13497 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL12892175 0.91 GPR119 (0.44) GPR119NPC1RAB9AALDH1A1MAPT
SCHEMBL8345175 0.81 GPR119 (0.47) GPR119NPC1RAB9AALDH1A1MAPT
SCHEMBL16299424 0.77 OGA (0.43) OGA
SCHEMBL8345834 0.75 NPC1 (0.40) GPR119NPC1RAB9AALDH1A1MAPT
SCHEMBL8347781 0.74 ITGB3 (0.66)
SCHEMBL19283569 0.74 OGA (0.58) OGA
SCHEMBL8344165 0.74 NPC1 (0.44) GPR119NPC1RAB9AMAPT
SCHEMBL8344058 0.74 GPR119 (0.42) GPR119
SCHEMBL10154316 0.73 OGA (0.43) HTTOGA
SCHEMBL8344750 0.72 NPC1 (0.50) GPR119NPC1RAB9AALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO disclosed