SCHEMBL5563609

SCHEMBL5563609

COC(=O)[C@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HDAC8 Q9BY41 1/20 0.38
SCN9A Q15858 1/20 0.38
TRPA1 O75762 1/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37
MMP8 P22894 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
MMP3 P08254 1/20 0.37
MC4R P32245 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
PTPN1 P18031 1/20 0.36
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL5564853 0.91 ACE (0.45) MMEACE
SCHEMBL5564856 0.91 ACE (0.45) MMEACE
SCHEMBL5563332 0.88 MC4R (0.40) DRD2DRD4SCN9AP2RX7MC4R
SCHEMBL5563441 0.88 MC4R (0.41) DRD2DRD4SCN9AKMT2AP2RX7
SCHEMBL5917460 0.85 ACE (0.49) MMEACE
SCHEMBL5837686 0.85 ACE (0.49) MMEACE
SCHEMBL5563323 0.84 TSHR (0.42) DRD2DRD4SCN9AKMT2AMC4R
SCHEMBL5563481 0.81 DRD2 (0.47) DRD2DRD4HDAC8KMT2AP2RX7
SCHEMBL5563656 0.79 MC4R (0.41) SCN9AMC4RMMEACE
SCHEMBL5563362 0.79 MC4R (0.42) SCN9AMC4RACE

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