SCHEMBL5564142

SCHEMBL5564142

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2cc3ccccc3cc2C[C@H]1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
KLK5 Q9Y337 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SCN9A Q15858 2/20 0.37
ACE P12821 2/20 0.36
PTPN1 P18031 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
SCHEMBL5564139 1.00 CTSK (0.39) CTSKCTSBCTSSKLK5KMT2A
SCHEMBL5568446 0.91 ACE (0.42) CTSKCTSBCTSSACE
SCHEMBL5568859 0.88 DRD2 (0.45) ACE
SCHEMBL5564518 0.86 HDAC8 (0.42) HDAC8
SCHEMBL5567585 0.86 MC4R (0.37) CTSKCTSSKLK5KMT2AHDAC8
SCHEMBL5568561 0.86 KDM4E (0.39) CTSKCTSBCTSSKMT2ASCN9A
SCHEMBL5563441 0.85 MC4R (0.41) CTSKCTSBCTSSKLK5KMT2A
SCHEMBL5563163 0.83 HDAC8 (0.37) HDAC8SCN9A
SCHEMBL5568571 0.82 SCN9A (0.42) CTSKCTSSKLK5SCN9A
SCHEMBL5565567 0.80 MC4R (0.40) CTSKCTSSKLK5KMT2ASCN9A

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