SCHEMBL5563441

SCHEMBL5563441

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(Cl)cc2C[C@H]1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SCN9A Q15858 1/20 0.39
CACNA1B Q00975 1/20 0.38
CTSL P07711 2/20 0.38
P2RX7 Q99572 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 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
SCHEMBL5563332 0.93 MC4R (0.40) MC4RDRD2DRD4ALDH1A1MAPT
SCHEMBL5563362 0.91 MC4R (0.42) MC4RALDH1A1MAPTKDM4EGAA
SCHEMBL7668349 0.91 MC4R (0.42) MC4RALDH1A1MAPTKDM4EGAA
SCHEMBL5564518 0.89 HDAC8 (0.42) ALDH1A1CACNA1BPPARGPPARA
SCHEMBL5567585 0.88 MC4R (0.37) MC4RDRD2DRD4ALDH1A1MAPT
SCHEMBL5563323 0.88 TSHR (0.42) MC4RDRD2DRD4ALDH1A1MAPT
SCHEMBL5563609 0.88 DRD2 (0.41) MC4RDRD2DRD4SCN9AP2RX7
SCHEMBL5563311 0.86 KDM4E (0.41) MC4RALDH1A1MAPTKDM4EGAA
SCHEMBL5568859 0.86 DRD2 (0.45) DRD2DRD4ALDH1A1KDM4E
SCHEMBL7042312 0.86 KDM4E (0.51) MC4RDRD2ALDH1A1KDM4ECTSK

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