SCHEMBL7400050

SCHEMBL7400050

C[C@H](Nc1ccc(C(=O)C2CNCCO2)cc1)C(=O)NC(C=CC(=O)O)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CTSL P07711 6/20 0.37
FOLH1 Q04609 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL7359188 0.87 DPP8 (0.40) CPB1CPB2CTSLFOLH1CA1
SCHEMBL8492551 0.78 CTSL (0.47) CTSLCA1CA2CTSB
SCHEMBL7351506 0.74 DPP8 (0.39) CPB1CPB2CTSLFOLH1CA1
SCHEMBL7400048 0.73 TGM2 (0.42) CPB1CPB2CTSLFOLH1
SCHEMBL7350474 0.71 CTSL (0.44) CTSLCTSB
SCHEMBL8690341 0.70 SSTR4 (0.39) CTSLMAPTCTSB
SCHEMBL7353064 0.69 CA1 (0.39) FOLH1CA1CA2
SCHEMBL7400045 0.69 FOLH1 (0.43) CPB1CPB2CTSLFOLH1CTSB
SCHEMBL27380021 0.68 SSTR4 (0.38)
SCHEMBL7359178 0.68 DPP8 (0.46) CTSLFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP claimed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP claimed
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-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