SCHEMBL6161556

SCHEMBL6161556

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.53
CTSK P43235 9/20 0.53
CTSB P07858 4/20 0.53
CTSL P07711 2/20 0.48
PTPN1 P18031 1/20 0.47
USP30 Q70CQ3 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
F10 P00742 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
REN P00797 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL6164417 0.89 PTPN1 (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6163926 0.85 USP30 (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6161572 0.83 USP30 (0.45) USP30F10ITGB3ITGB1ITGAV
SCHEMBL6166259 0.80 PTPN1 (0.47) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL2999836 0.79 CTSS (0.69) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL2999840 0.79 CTSS (0.69) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6163562 0.79 USP30 (0.55) CTSSCTSKCTSBCTSLUSP30
SCHEMBL25419654 0.79 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6164303 0.79 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6166435 0.78 USP30 (0.59) USP30F10

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed