SCHEMBL7033985

SCHEMBL7033985

CNC(=O)C(N)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.52
ROCK2 O75116 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SLC6A4 P31645 1/20 0.50
DPP4 P27487 1/20 0.48
CSK P41240 1/20 0.47
FFAR2 O15552 1/20 0.47
NLN Q9BYT8 1/20 0.47
ACACB O00763 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR142 Q7Z601 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7033988 1.00 CTSC (0.52) CTSCROCK2SLC6A2SLC6A3SLC6A4
SCHEMBL7275544 0.84 CSK (0.49) CTSCDPP4CSK
SCHEMBL30708085 0.84 SLC7A5 (0.62) SLC6A2CSK
SCHEMBL12323415 0.84 CSK (0.49) DPP4CSKACACBMEN1KMT2A
SCHEMBL2013830 0.84 SLC7A5 (0.62) SLC6A2CSK
SCHEMBL7275549 0.84 CSK (0.49) CTSCDPP4CSK
SCHEMBL2017291 0.84 SLC7A5 (0.62) SLC6A2CSK
SCHEMBL21410883 0.84 CSK (0.49) DPP4CSKACACBMEN1KMT2A
SCHEMBL21410884 0.84 CSK (0.49) DPP4CSKACACBMEN1KMT2A
SCHEMBL25408933 0.83 CSK (0.51) DPP4CSKACACBMEN1KMT2A

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-0977730-B1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMA SPA (IT) 2003-03-12 EP disclosed
US-6344457-B1 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIODONTITIS, GINGIVITIS OR TUMOROUS INVASION AND METASTATIC PROLIFERATION, ATHEROSCLEROSIS, AIDS, CHRONIC INFLAMMATORY DISEASES OF THE INTESTINE CHIESI FARMACEUTICI S.P.A. (IT) 2002-02-05 US disclosed
EP-0977730-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.p.A. (IT) 2000-02-09 EP disclosed
WO-1998047863-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.P.A. (IT) 1998-10-29 WO disclosed