SCHEMBL7811944

SCHEMBL7811944

NC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Br)cc2)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.76
CTSB P07858 15/20 0.76
CTSS P25774 15/20 0.76
CTSK P43235 13/20 0.76

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
SCHEMBL7797585 0.85 CTSL (0.77) CTSLCTSBCTSSCTSK
SCHEMBL14493886 0.79 CTSK (0.56) CTSLCTSBCTSSCTSK
SCHEMBL3420426 0.78 CTSL (0.86) CTSLCTSBCTSSCTSK
SCHEMBL8293576 0.78 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL3476052 0.77 CTSL (0.83) CTSLCTSBCTSSCTSK
SCHEMBL3422345 0.77 CTSL (0.83) CTSLCTSBCTSSCTSK
SCHEMBL3417590 0.75 CTSL (0.84) CTSLCTSBCTSSCTSK
SCHEMBL3417962 0.74 CTSS (0.82) CTSLCTSBCTSSCTSK
SCHEMBL1273075 0.74 CTSS (0.91) CTSLCTSBCTSSCTSK
SCHEMBL1273076 0.74 CTSS (0.91) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed