SCHEMBL6656313

SCHEMBL6656313

CC(N)CNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 2/20 0.57
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
GPR139 Q6DWJ6 1/20 0.51
EPHX2 P34913 1/20 0.50
SLC1A2 P43004 1/20 0.50
NAAA Q02083 1/20 0.49
MAPT P10636 1/20 0.47
ITGAV P06756 1/20 0.47

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
SCHEMBL11349126 0.93 RAB9A (0.56) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18759326 0.86 GAA (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL10874691 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL255251 0.85 GAA (0.76) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL28212893 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL7211938 0.84 LMNA (0.54) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL20392869 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL8506869 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL8507006 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL27386734 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143328-B Polymer material 嘉洛斯控股有限公司 2019-11-05 CN disclosed
EP-1440052-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-28 EP disclosed
WO-2003037847-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-08 WO disclosed