SCHEMBL5568280

SCHEMBL5568280

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.42
CTSS P25774 8/20 0.42
IDO1 P14902 1/20 0.41
AR P10275 1/20 0.40
TACR1 P25103 1/20 0.38
CTSB P07858 2/20 0.36
CACNA1B Q00975 1/20 0.36
CTSL P07711 3/20 0.35
NR4A1 P22736 1/20 0.34
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL5569458 0.92 IDO1 (0.46) CTSKCTSSIDO1ARTACR1
SCHEMBL4122289 0.65 CTSS (0.76) CTSKCTSSCTSL
SCHEMBL613640 0.65 CTSS (0.76) CTSKCTSSCTSL
SCHEMBL4600435 0.65 CTSS (0.76) CTSKCTSSCTSL
SCHEMBL29401990 0.65 CTSS (0.76) CTSKCTSSCTSL
SCHEMBL4174487 0.65 CTSK (0.46) CTSKCTSSIDO1CTSBCTSL
SCHEMBL5556848 0.65 CTSS (0.67) CTSKCTSSCTSBCTSLCCKBR
SCHEMBL834064 0.63 PPARA (0.54) CTSKCTSSCTSBCTSL
SCHEMBL834063 0.63 PPARA (0.54) CTSKCTSSCTSBCTSL
SCHEMBL7288479 0.63 CTSK (0.65) CTSKCTSSIDO1

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