SCHEMBL8296830

SCHEMBL8296830

CN(C(=O)[C@@H](N)C1CCC(OCc2ccccc2)CC1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ DPP4 P27487 4/20 0.41
▸ DPP7 Q9UHL4 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ F2 P00734 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL8295032 0.90 EPHX1 (0.39) TRPM8DPP4F2SMN1; SMN2ALDH1A1
SCHEMBL8295030 0.88 EPHX1 (0.43) SMN1; SMN2L3MBTL1
SCHEMBL8296559 0.84 TRPM8 (0.41) TRPM8DPP4DPP7KCNH2F2
SCHEMBL8295906 0.84 TRPM8 (0.41) TRPM8DPP4DPP7KCNH2F2
Hydrochloric Acid SCHEMBL6243770 0.83 TRPM8 (0.40) TRPM8DPP4DPP7KCNH2F2
Hydrochloric Acid SCHEMBL6243767 0.83 TRPM8 (0.40) TRPM8DPP4DPP7KCNH2F2
SCHEMBL8294323 0.82 KMT2A (0.43) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8295905 0.80 F2 (0.41) KCNH2F2L3MBTL1
SCHEMBL8294266 0.80 F2 (0.41) DPP4KCNH2KMT2AF2L3MBTL1
SCHEMBL8296774 0.78 DPP4 (0.46) DPP4DPP7KCNH2KMT2AF2

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
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