SCHEMBL7564797

SCHEMBL7564797

CN(C#N)C(=O)C(CC1CCCCC1)NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.48
CTSS P25774 5/20 0.48
CTSB P07858 4/20 0.48
CTSK P43235 4/20 0.48
USP30 Q70CQ3 1/20 0.42
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40
PSMB6 P28072 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB3 P49720 1/20 0.40

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
SCHEMBL7561468 0.86 CTSS (0.53) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5526075 0.85 SMN1; SMN2 (0.52) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7590963 0.85 CTSL (0.50) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525360 0.85 CTSL (0.50) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534117 0.83 CTSS (0.70) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7539083 0.83 CTSL (0.55) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5530441 0.82 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.82 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5534150 0.81 CTSS (0.56) CTSLCTSSCTSBCTSKCYP3A4
SCHEMBL7478526 0.80 CTSL (0.48) 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