SCHEMBL6685689

SCHEMBL6685689

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(C)c2)c2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.70
CTSS P25774 17/20 0.70
CTSK P43235 6/20 0.59

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
SCHEMBL6687754 0.92 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL6692645 0.92 CTSL (0.68) CTSLCTSSCTSK
SCHEMBL6690020 0.91 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6692446 0.91 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL6687989 0.91 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL6693111 0.89 CTSL (0.66) CTSLCTSSCTSK
SCHEMBL6688773 0.89 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6690375 0.89 CTSL (0.59) CTSLCTSSCTSK
SCHEMBL6688768 0.89 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6690185 0.89 CTSL (0.59) 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