SCHEMBL7531795

SCHEMBL7531795

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.69
CTSS P25774 6/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 2/20 0.54
USP30 Q70CQ3 1/20 0.51
KCNH2 Q12809 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5518263 0.90 CTSL (0.58) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7539158 0.90 CTSL (0.55) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7539083 0.89 CTSL (0.55) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534179 0.89 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534161 0.89 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5530441 0.89 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.89 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7533224 0.89 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5529602 0.88 CTSL (0.53) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7567919 0.88 USP30 (0.54) CTSLCTSSCTSBCTSKUSP30

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