SCHEMBL8760465

SCHEMBL8760465

O=C(OCc1ccccc1)N1CCc2ccc(O)cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
NOTUM Q6P988 1/20 0.54
TMEM97 Q5BJF2 8/20 0.47
SIGMAR1 Q99720 8/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL5215787 0.87 NPC1 (0.72) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL30987968 0.87 NPC1 (0.71) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7754907 0.87 NPC1 (0.71) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7469639 0.86 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL30659283 0.86 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL5215945 0.85 NPC1 (0.69) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL5212024 0.83 L3MBTL1 (0.66) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL21965354 0.82 RAB9A (0.65) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL29264496 0.82 NPC1 (0.68) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7749915 0.81 NPC1 (0.62) NPC1RAB9AL3MBTL1NOTUMTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709374-B1 Process for the preparation of indol derivatives starting from N-protected indolin compounds OREAL (FR) 1997-06-18 EP claimed
US-5578735-A CATALYTIC HYDROGENATION OF INDOLE COMPOUNDS AND REFLUXING L'OREAL (FR) 1996-11-26 US claimed
EP-0709374-A1 Process for the preparation of indol derivatives starting from N-protected indolin compounds L'OREAL (FR) 1996-05-01 EP claimed
EP-0709374-B1 Process for the preparation of indol derivatives starting from N-protected indolin compounds OREAL (FR) 1997-06-18 EP disclosed
US-5578735-A CATALYTIC HYDROGENATION OF INDOLE COMPOUNDS AND REFLUXING L'OREAL (FR) 1996-11-26 US disclosed
EP-0709374-A1 Process for the preparation of indol derivatives starting from N-protected indolin compounds L'OREAL (FR) 1996-05-01 EP disclosed