SCHEMBL5565636

SCHEMBL5565636

CCOC(=O)N1CCc2c(C)cccc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.68
CNR2 P34972 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
AKT1 P31749 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
BRD4 O60885 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
SCHEMBL5565450 0.86 NOTUM (0.69) NOTUMCNR2ALDH1A1MAPTDRD2
SCHEMBL23063791 0.82 NOTUM (0.64) NOTUMCNR2DRD2DRD4BRD4
SCHEMBL2619231 0.81 NOTUM (1.00) NOTUMCNR2ALDH1A1MAPTDRD2
SCHEMBL29554766 0.78 NPC1 (0.71) NOTUMALDH1A1MAPTNPC1RAB9A
SCHEMBL2116912 0.78 NPC1 (0.71) NOTUMALDH1A1MAPTNPC1RAB9A
SCHEMBL20939604 0.77 NOTUM (0.64) NOTUMCNR2ALDH1A1DRD2DRD4
SCHEMBL30955287 0.75 BCHE (0.46) NOTUMNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL19435987 0.74 SMN1; SMN2 (0.45) NOTUMALDH1A1MAPTNPC1RAB9A
SCHEMBL22312090 0.73 NOTUM (0.84) NOTUMCNR2ALDH1A1MAPTDRD2
SCHEMBL5426108 0.73 NOTUM (0.65) NOTUMALDH1A1MAPTNPC1RAB9A

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-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed