SCHEMBL7399034

SCHEMBL7399034

CC(C)(C)OC(=O)N[C@@H](Cc1ccnc(C#N)c1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.53
CTSK P43235 9/20 0.53
CTSB P07858 5/20 0.53
CTSL P07711 3/20 0.53
PTPN1 P18031 1/20 0.51
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
ACE P12821 1/20 0.47
KLK5 Q9Y337 1/20 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
SCHEMBL6162390 0.87 PTPN1 (0.54) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6162397 0.87 PTPN1 (0.54) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL28198598 0.82 CTSS (0.57) CTSSCTSKCTSBCTSLPOLB
SCHEMBL28198599 0.82 CTSS (0.57) CTSSCTSKCTSBCTSLPOLB
SCHEMBL10857658 0.82 CTSS (0.57) CTSSCTSKCTSBCTSLPOLB
SCHEMBL3355326 0.82 CTSS (0.64) CTSSCTSKCTSBCTSLPOLB
SCHEMBL85543 0.82 CTSS (0.64) CTSSCTSKCTSBCTSLPOLB
SCHEMBL22404737 0.82 CTSS (0.64) CTSSCTSKCTSBCTSLPOLB
SCHEMBL2617295 0.82 PTPN1 (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL13707865 0.82 PTPN1 (0.56) CTSSCTSKCTSBCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 EP disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 WO disclosed