SCHEMBL249645

SCHEMBL249645

CCN(Cc1ccccc1)C(=O)CCCC(=O)O.CN(C)C1(c2cccs2)CCC(N)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRL1 P41146 7/20 0.40
OPRM1 P35372 6/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL249993 0.90 NPC1 (0.43) NPC1MAPK1OPRL1OPRM1RAB9A
SCHEMBL206106 0.83 OPRM1 (0.49) LMNANPC1ALOX15TSHRMAPK1
SCHEMBL251293 0.77 ENPP2 (0.42) NPC1ALOX15MAPK1RAB9AALDH1A1
SCHEMBL250636 0.75 LTA4H (0.52) LMNANPC1RAB9AALDH1A1TDP1
SCHEMBL250548 0.75 OPRM1 (0.48) LMNATSHROPRL1OPRM1
SCHEMBL4075172 0.75 LMNA (0.69) LMNANPC1ALOX15TSHRMAPK1
SCHEMBL249977 0.75 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1MAPT
SCHEMBL249994 0.75 NPC1 (0.45) LMNANPC1OPRL1OPRM1MAPT
SCHEMBL251283 0.75 OPRM1 (0.44) NPC1OPRL1OPRM1RAB9AALDH1A1
SCHEMBL250033 0.74 OPRL1 (0.42) NPC1OPRL1OPRM1RAB9AMAPT

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-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed