SCHEMBL7478526

SCHEMBL7478526

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.48
CTSK P43235 6/20 0.48
CTSB P07858 5/20 0.48
CTSS P25774 4/20 0.48
USP30 Q70CQ3 2/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CTSH P09668 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL7567919 0.87 USP30 (0.54) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7531795 0.84 CTSL (0.69) CTSLCTSKCTSBCTSSUSP30
SCHEMBL5530441 0.84 CTSL (0.69) CTSLCTSKCTSBCTSSUSP30
SCHEMBL5525335 0.84 CTSL (0.69) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7533224 0.83 CTSL (0.54) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7477502 0.82 CTSL (0.51) CTSLCTSKCTSBCTSSUSP30
SCHEMBL5525922 0.82 CTSL (0.72) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7562349 0.81 CTSL (0.54) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7535546 0.81 CTSL (0.54) CTSLCTSKCTSBCTSSUSP30
SCHEMBL7561468 0.81 CTSS (0.53) CTSLCTSKCTSBCTSSUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed