SCHEMBL5569562

SCHEMBL5569562

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.41
ACE P12821 1/20 0.41
KMT2A Q03164 2/20 0.41
MC4R P32245 1/20 0.41
DRD2 P14416 4/20 0.39
CTSL P07711 1/20 0.39
DRD3 P35462 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 1/20 0.38
MAPK1 P28482 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
SCHEMBL5568420 1.00 AGTR2 (0.41) AGTR2ACEKMT2AMC4RDRD2
Trifluoroacetamide SCHEMBL8210338 0.93 ACE (0.39) AGTR2ACEKMT2AMC4RDRD2
SCHEMBL5565567 0.91 MC4R (0.40) KMT2AMC4RDRD2CTSLDRD3
SCHEMBL7652246 0.90 ACE (0.39) AGTR2ACEKMT2AMC4RDRD2
SCHEMBL5567555 0.90 ACE (0.39) AGTR2ACEKMT2AMC4RDRD2
SCHEMBL5568535 0.90 SCN9A (0.43) AGTR2ACEKMT2ACTSKCTSS
SCHEMBL7658235 0.90 ACE (0.39) AGTR2ACEKMT2AMC4RDRD2
SCHEMBL5563646 0.90 AGTR2 (0.41) AGTR2ACEKMT2ACTSKCTSS
SCHEMBL7653905 0.90 SCN9A (0.43) AGTR2ACEKMT2ACTSKCTSS
SCHEMBL5563650 0.88 AGTR2 (0.46) AGTR2ACEKMT2ADRD2CTSK

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