SCHEMBL8296554

SCHEMBL8296554

N[C@H](C(=O)NC1CC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
EPHX2 P34913 1/20 0.46
DPP4 P27487 11/20 0.46
GLS O94925 1/20 0.45
DPP7 Q9UHL4 3/20 0.42

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
SCHEMBL27636683 0.96 EPHX1 (0.52) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8294199 0.96 EPHX1 (0.52) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22679468 0.96 EPHX1 (0.52) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8294194 0.94 EPHX1 (0.50) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19820046 0.94 EPHX1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1174761 0.79 DPP4 (0.46) EPHX1DPP4GLSDPP7
SCHEMBL1174765 0.79 DPP4 (0.46) EPHX1DPP4GLSDPP7
SCHEMBL14097634 0.79 DPP4 (0.46) EPHX1DPP4GLSDPP7
SCHEMBL12154903 0.78 DPP4 (0.44) EPHX1DPP4GLSDPP7
Hydrochloric Acid SCHEMBL1300426 0.78 DPP4 (0.44) EPHX1DPP4GLSDPP7

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed