SCHEMBL7358329

SCHEMBL7358329

C[C@H](Nc1cc(C(=O)C2CNCCO2)c2ccccc2c1)C(=O)N[C@H](C=CS(=O)(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CTSB P07858 6/20 0.45
CTSL P07711 6/20 0.45
CTSS P25774 3/20 0.45
CTSH P09668 2/20 0.45
CTSC P53634 2/20 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
SCHEMBL7413216 0.95 CTSK (0.42) CTSKCTSBCTSLCTSSCTSH
SCHEMBL8696255 0.82 SSTR4 (0.37) CTSBCTSLCTSS
SCHEMBL7355598 0.76 CTSB (0.56) CTSKCTSBCTSLCTSSCTSH
SCHEMBL7349455 0.76 CTSB (0.56) CTSKCTSBCTSLCTSSCTSH
SCHEMBL7353011 0.74 CTSB (0.58) CTSKCTSBCTSLCTSSCTSH
SCHEMBL7412506 0.73 CTSB (0.55) CTSKCTSBCTSLCTSSCTSH
SCHEMBL7412508 0.73 CTSB (0.55) CTSKCTSBCTSLCTSSCTSH
SCHEMBL7354660 0.72 CTSB (0.51) CTSKCTSBCTSLCTSSCTSH
SCHEMBL8516641 0.72 CTSB (0.51) CTSKCTSBCTSLCTSSCTSH
SCHEMBL8690341 0.71 SSTR4 (0.39) CTSKCTSBCTSLCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO claimed
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed