SCHEMBL6949682

SCHEMBL6949682

CC(C)(C)OC(=O)N1CCC(CCC(O)C(CCO)c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
FAAH O00519 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC2A1 P11166 1/20 0.42
MMP13 P45452 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL389003 0.82 FAAH (0.53) GPR119KDM4EPKMFAAHKEAP1
SCHEMBL13989309 0.79 GPR119 (0.47) GPR119KDM4EPKMFAAHSLC2A1
SCHEMBL27035706 0.78 GPR119 (0.53) GPR119KDM4EPKMFAAHSLC2A1
SCHEMBL3865846 0.76 GPR119 (0.50) GPR119KDM4EPKMFAAHKEAP1
SCHEMBL5267591 0.76 FAAH (0.49) GPR119KDM4EPKMFAAHNPC1
SCHEMBL389652 0.76 FAAH (0.55) GPR119KDM4EPKMFAAHSLC2A1
SCHEMBL390114 0.76 GPR119 (0.47) GPR119KDM4EPKMFAAHSLC2A1
SCHEMBL4242463 0.76 GPR119 (0.53) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL389218 0.75 GPR119 (0.54) GPR119KDM4EPKMFAAHSLC2A1
SCHEMBL388825 0.74 KDM4E (0.46) GPR119KDM4EPKMFAAHSLC2A1

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-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed