SCHEMBL15905685

SCHEMBL15905685

[2H]C([2H])([2H])C(C)(F)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.51
CTSB P07858 11/20 0.51
CTSK P43235 10/20 0.51
CTSS P25774 8/20 0.51
CTSF Q9UBX1 3/20 0.43
GRN P28799 1/20 0.41
SORT1 Q99523 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
SCHEMBL2156721 0.92 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL3767672 0.92 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL2929115 0.92 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL6092682 0.87 CTSL (0.55) CTSLCTSBCTSKCTSSCTSF
SCHEMBL14579995 0.81 CTSL (0.53) CTSLCTSBCTSKCTSSCTSF
SCHEMBL13624177 0.81 CTSL (0.53) CTSLCTSBCTSKCTSSCTSF
SCHEMBL5395043 0.80 CTSL (0.52) CTSLCTSBCTSKCTSSCTSF
SCHEMBL2155289 0.79 CTSL (0.55) CTSLCTSBCTSKCTSSGRN
SCHEMBL4678049 0.79 CTSL (0.55) CTSLCTSBCTSKCTSSGRN
SCHEMBL4419936 0.79 CTSL (0.61) CTSLCTSBCTSKCTSSGRN

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
US-8791162-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-29 US disclosed