SCHEMBL15827682

SCHEMBL15827682

CC[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.70
CTSS P25774 13/20 0.67
CTSB P07858 10/20 0.67
CTSK P43235 9/20 0.67

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
SCHEMBL1273044 0.83 CTSS (0.62) CTSLCTSSCTSBCTSK
SCHEMBL1199239 0.82 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL1199241 0.82 CTSL (0.74) CTSLCTSSCTSBCTSK
SCHEMBL14324339 0.82 CTSS (0.88) CTSLCTSSCTSBCTSK
SCHEMBL1272500 0.82 CTSS (0.88) CTSLCTSSCTSBCTSK
SCHEMBL2133515 0.82 CTSL (0.83) CTSLCTSSCTSBCTSK
SCHEMBL2156876 0.82 CTSL (0.79) CTSLCTSSCTSBCTSK
SCHEMBL4412302 0.82 CTSL (0.73) CTSLCTSSCTSBCTSK
SCHEMBL1271598 0.82 CTSS (0.85) CTSLCTSSCTSBCTSK
SCHEMBL1200274 0.81 CTSL (0.72) 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
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP disclosed