SCHEMBL6687707

SCHEMBL6687707

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C#N)c2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.58
CTSS P25774 14/20 0.58
CTSK P43235 10/20 0.54
GPR139 Q6DWJ6 1/20 0.48

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
SCHEMBL6690841 0.91 CTSL (0.65) CTSLCTSSCTSKGPR139
SCHEMBL6693309 0.88 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6693130 0.86 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6690496 0.85 CTSL (0.59) CTSLCTSSCTSK
SCHEMBL6687754 0.83 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL6688735 0.82 CTSL (0.71) CTSLCTSSCTSK
SCHEMBL6685376 0.82 CTSL (0.68) CTSLCTSSCTSK
SCHEMBL6690048 0.81 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL5842177 0.81 CTSL (0.77) CTSLCTSSCTSK
SCHEMBL5842169 0.81 CTSL (0.77) CTSLCTSSCTSK

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-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed