SCHEMBL5569458

SCHEMBL5569458

CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1c2c(ccc3ccccc23)N[C@@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
CTSK P43235 9/20 0.45
CTSS P25774 7/20 0.45
NR4A1 P22736 1/20 0.41
CTSB P07858 2/20 0.39
AR P10275 1/20 0.39
CTSL P07711 2/20 0.37
TACR1 P25103 1/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL5568280 0.92 CTSK (0.42) IDO1CTSKCTSSNR4A1CTSB
SCHEMBL29401990 0.68 CTSS (0.76) CTSKCTSSCTSLPPARAPPARG
SCHEMBL613640 0.68 CTSS (0.76) CTSKCTSSCTSLPPARAPPARG
SCHEMBL4122289 0.68 CTSS (0.76) CTSKCTSSCTSLPPARAPPARG
SCHEMBL4600435 0.68 CTSS (0.76) CTSKCTSSCTSLPPARAPPARG
Trifluoroacetic Acid SCHEMBL5563692 0.68 AR (0.35) NR4A1AR
SCHEMBL834063 0.66 PPARA (0.54) CTSKCTSSCTSBCTSLPPARA
SCHEMBL834064 0.66 PPARA (0.54) CTSKCTSSCTSBCTSLPPARA
SCHEMBL345085 0.66 CTSK (0.65) IDO1CTSKCTSSPPARAPPARG
SCHEMBL7288479 0.66 CTSK (0.65) IDO1CTSKCTSSPPARAPPARG

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