SCHEMBL5568571

SCHEMBL5568571

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2cccc(F)c2C[C@@H]1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CCKAR P32238 2/20 0.38
CCKBR P32239 2/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL5568535 0.91 SCN9A (0.43) SCN9ACTSSCTSKCCKARCCKBR
SCHEMBL7653905 0.91 SCN9A (0.43) SCN9ACTSSCTSKCCKARCCKBR
SCHEMBL5563365 0.90 KLK5 (0.38) SCN9ACTSSCTSKKLK5
SCHEMBL5565567 0.90 MC4R (0.40) SCN9ACTSSCTSKKLK5
SCHEMBL5565662 0.89 CTSS (0.41) SCN9ACTSSCTSKKLK5
2,2,2-Trifluoroethanaminium SCHEMBL8210275 0.86 SCN9A (0.41) SCN9ACTSSCTSKCCKARCCKBR
Trifluoroacetamide SCHEMBL8210272 0.86 SCN9A (0.40) SCN9ACTSSCTSKCCKARCCKBR
SCHEMBL5568859 0.85 DRD2 (0.45)
SCHEMBL5567466 0.84 MC4R (0.37) CTSSCTSKKLK5
SCHEMBL7653212 0.84 MC4R (0.37) CTSSCTSKKLK5

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