SCHEMBL7797585

SCHEMBL7797585

NC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.77
CTSS P25774 14/20 0.77
CTSB P07858 13/20 0.77
CTSK P43235 11/20 0.77

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
SCHEMBL2720048 0.87 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL3417590 0.87 CTSL (0.84) CTSLCTSSCTSBCTSK
SCHEMBL7811944 0.85 CTSL (0.76) CTSLCTSSCTSBCTSK
SCHEMBL7804136 0.79 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL3419854 0.75 CTSL (0.79) CTSLCTSSCTSBCTSK
SCHEMBL3420426 0.74 CTSL (0.86) CTSLCTSSCTSBCTSK
SCHEMBL3422345 0.73 CTSL (0.83) CTSLCTSSCTSBCTSK
SCHEMBL3476052 0.73 CTSL (0.83) CTSLCTSSCTSBCTSK
SCHEMBL3419285 0.72 CTSS (0.86) CTSLCTSSCTSBCTSK
SCHEMBL7807933 0.72 CTSS (0.74) CTSLCTSSCTSBCTSK

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