SCHEMBL6693581

SCHEMBL6693581

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C)c2Cl)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.53
CTSS P25774 13/20 0.53
CTSK P43235 14/20 0.49

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
SCHEMBL6685227 0.86 CTSS (0.55) CTSLCTSSCTSK
SCHEMBL6690048 0.81 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6690841 0.81 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL5843465 0.81 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL5843456 0.81 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL6689372 0.80 CTSS (0.55) CTSLCTSSCTSK
SCHEMBL6685224 0.79 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6693219 0.79 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6693130 0.79 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6687980 0.77 CTSL (0.68) 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