SCHEMBL2174240

SCHEMBL2174240

CC(=O)OC1CCN(C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.45
HTR2C P28335 1/20 0.43
CTSK P43235 2/20 0.43
P2RX4 Q99571 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL2174234 1.00 NPC1 (0.55) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL2173894 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL981565 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL2172049 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL28001937 0.82 CNR2 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2172195 0.81 NPC1 (0.50) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL2172191 0.81 NPC1 (0.50) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL9782862 0.81 NOTUM (0.53)
SCHEMBL15375250 0.76 NOTUM (0.58) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL8154351 0.75 NPC1 (0.54) NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964925-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES MITSUBISHI TANABE PHARMA CORP (JP) 2016-03-30 EP disclosed
US-7972836-B2 Method of enzymatic optical resolution of racemic 4-hydroxy-1,2,3,4-tetrahydroquinoline MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20090269821-A1 Method for Preparing Optically Active 4-Hydroxy-1,2,3,4-Tetrahydroquinoline Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-29 US disclosed
EP-1964925-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-03 EP disclosed