SCHEMBL8566397

SCHEMBL8566397

COC(=O)NC1Cc2ccccc2N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
REN P00797 1/20 0.46
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NAMPT P43490 2/20 0.41
KDM1A O60341 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
DRD2 P14416 2/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
BCHE P06276 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8564093 1.00 EPHX2 (0.47) EPHX2RENMTNR1AMTNR1BNAMPT
SCHEMBL8564090 1.00 EPHX2 (0.47) EPHX2RENMTNR1AMTNR1BNAMPT
SCHEMBL7003843 0.94 EPHX2 (0.54) EPHX2RENMTNR1AMTNR1BNAMPT
SCHEMBL12679645 0.84 EPHX2 (0.54) EPHX2RENMTNR1AMTNR1BNAMPT
SCHEMBL7006038 0.84 EPHX2 (0.54) EPHX2RENMTNR1AMTNR1BNAMPT
SCHEMBL2489959 0.81 EPHX2 (0.51) EPHX2MTNR1AMTNR1BNAMPTKDM1A
SCHEMBL1448032 0.80 NAMPT (0.46) RENNAMPTKDM1AHDAC1HDAC6
SCHEMBL16353535 0.79 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL16353667 0.79 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL16385108 0.79 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed