SCHEMBL7539083

SCHEMBL7539083

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.55
CTSS P25774 8/20 0.53
CTSB P07858 5/20 0.53
CTSK P43235 3/20 0.53
USP30 Q70CQ3 2/20 0.43
CYP3A4 P08684 1/20 0.42
CTSH P09668 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
DPP4 P27487 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
SCHEMBL5529602 0.91 CTSL (0.53) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7531795 0.89 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5518263 0.88 CTSL (0.58) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7539158 0.88 CTSL (0.55) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7471193 0.88 CTSL (0.52) CTSLCTSSCTSBCTSK
SCHEMBL5534179 0.87 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5528488 0.87 CTSL (0.62) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534161 0.87 CTSL (0.54) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5530441 0.87 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.87 CTSL (0.69) 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