SCHEMBL5567585

SCHEMBL5567585

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2cc(Cl)c(Cl)cc2C[C@H]1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KLK5 Q9Y337 1/20 0.35
KMT2A Q03164 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
CACNA1B Q00975 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL5568393 0.91 CTSS (0.39) MC4RCTSKCTSSKMT2A
SCHEMBL5563441 0.88 MC4R (0.41) MC4RCTSKCTSSALDH1A1MAPT
SCHEMBL5564139 0.86 CTSK (0.39) CTSKCTSSKLK5KMT2AHDAC8
SCHEMBL5564142 0.86 CTSK (0.39) CTSKCTSSKLK5KMT2AHDAC8
SCHEMBL7658240 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDDRD2DRD4
SCHEMBL5563327 0.85 CXCR3 (0.35) MC4RCTSKCTSSALDH1A1MAPT
SCHEMBL5564518 0.84 HDAC8 (0.42) ALDH1A1HDAC8CACNA1BHDAC3HDAC4
SCHEMBL5568859 0.84 DRD2 (0.45) ALDH1A1KDM4EDRD2DRD4
SCHEMBL5567466 0.83 MC4R (0.37) MC4RCTSKCTSSALDH1A1MAPT
SCHEMBL7653212 0.83 MC4R (0.37) MC4RCTSKCTSSALDH1A1MAPT

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