SCHEMBL6556306

SCHEMBL6556306

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
REN P00797 4/20 0.53
KLK5 Q9Y337 3/20 0.52
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ACE P12821 1/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
AKT1 P31749 1/20 0.46
BACE1 P56817 4/20 0.46

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
SCHEMBL6556305 1.00 ATM (0.54) ATMRENKLK5CTSSCTSK
SCHEMBL9081107 0.95 REN (0.49) ATMRENKLK5CTSSCTSK
SCHEMBL7422374 0.91 BCL2 (0.49) ATMRENKLK5
SCHEMBL6556301 0.90 REN (0.52) ATMRENKLK5CTSSCTSK
SCHEMBL9081020 0.89 KLK5 (0.45) ATMRENKLK5CTSSCTSK
SCHEMBL7355735 0.87 KLK5 (0.56) ATMRENKLK5CTSSCTSK
SCHEMBL7355740 0.87 KLK5 (0.56) ATMRENKLK5CTSSCTSK
SCHEMBL8606837 0.86 CMA1 (0.51) ATMRENKLK5CTSSCTSK
SCHEMBL7807979 0.85 TRPM8 (0.56) RENCTSSCTSKCTSLCTSB
SCHEMBL6556246 0.84 KLK5 (0.53) ATMRENKLK5CTSSCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed