SCHEMBL5568286

SCHEMBL5568286

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(Cl)c(Cl)c2C[C@@H]1C(=O)NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
KMT2A Q03164 1/20 0.34
MC4R P32245 1/20 0.34
DRD2 P14416 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR3 P49682 6/20 0.33
SCN9A Q15858 2/20 0.33
LMNA P02545 1/20 0.33
ACE P12821 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
SCHEMBL5563898 1.00 CTSK (0.34) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL7650981 0.88 KDM4E (0.45) CTSKKMT2ADRD2ALDH1A1KDM4E
SCHEMBL7658235 0.86 ACE (0.39) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL5567555 0.86 ACE (0.39) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL7652246 0.86 ACE (0.39) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL5567466 0.85 MC4R (0.37) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL7653212 0.85 MC4R (0.37) CTSKCTSSKMT2AMC4RDRD2
SCHEMBL5563327 0.85 CXCR3 (0.35) CTSKCTSSKMT2AMC4RALDH1A1
SCHEMBL5563179 0.84 KDM4E (0.37) CTSKCTSSKMT2AALDH1A1KDM4E
SCHEMBL7659015 0.82 KDM4E (0.48) ALDH1A1KDM4E

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 2 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