SCHEMBL8685495

SCHEMBL8685495

CCCCCN(CCCCC)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL9438871 0.85 CTSK (0.57) CTSKACECTSSCTSLCTSB
SCHEMBL9439069 0.82 MMP9 (0.48) CTSK
SCHEMBL744269 0.82 ATM (0.57) CTSKATMACECTSSCTSL
SCHEMBL7407045 0.82 ATM (0.57) CTSKATMACECTSSCTSL
SCHEMBL9439279 0.82 ATM (0.57) CTSKATMACECTSSCTSL
SCHEMBL7346811 0.82 ATM (0.57) CTSKATMACECTSSCTSL
SCHEMBL7316279 0.82 ATM (0.57) CTSKATMACECTSSCTSL
SCHEMBL9538641 0.79 CTSK (0.59) CTSKCTSS
SCHEMBL7309827 0.79 ATM (0.54) CTSKATMACECTSSCTSL
SCHEMBL1150914 0.79 KLK5 (0.58) CTSKATMACECTSSCTSL

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
US-5847125-A Amino acid derivatives with anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-08 US disclosed
EP-0625141-B1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1997-04-16 EP disclosed
EP-0625141-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1994-11-23 EP disclosed
WO-1993014066-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1993-07-22 WO disclosed