SCHEMBL5563365

SCHEMBL5563365

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 5/20 0.36
ADORA1 P30542 1/20 0.36
CTSS P25774 1/20 0.35
SCN9A Q15858 2/20 0.35
ACE P12821 1/20 0.35
MC4R P32245 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
SCHEMBL5563646 0.91 AGTR2 (0.41) KMT2ACTSKCTSSSCN9AACE
SCHEMBL5568571 0.90 SCN9A (0.42) KLK5CTSKCTSSSCN9A
SCHEMBL5565567 0.90 MC4R (0.40) KLK5KMT2AALDH1A1CTSKCTSS
SCHEMBL5565662 0.89 CTSS (0.41) KLK5KMT2ACTSKCTSSSCN9A
SCHEMBL5568859 0.85 DRD2 (0.45) ALDH1A1KDM4EACE
SCHEMBL7653212 0.84 MC4R (0.37) KLK5KMT2AALDH1A1KDM4EGLA
SCHEMBL5567466 0.84 MC4R (0.37) KLK5KMT2AALDH1A1KDM4EGLA
SCHEMBL5568150 0.83 CTSK (0.37) KLK5KMT2AALDH1A1CTSKCTSS
SCHEMBL5563650 0.82 AGTR2 (0.46) KMT2AALDH1A1CTSKCTSSSCN9A
SCHEMBL5569562 0.81 AGTR2 (0.41) KMT2ACTSKCTSSACEMC4R

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