SCHEMBL6686273

SCHEMBL6686273

COc1cc(OC)nc(-c2ccc(C(=O)NCC(C(=O)NCCNc3ccc(OC(F)(F)F)cc3)C3CCCCC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.46
CTSL P07711 14/20 0.45
CTSK P43235 10/20 0.45
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6687608 0.87 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL6688774 0.85 CTSS (0.46) CTSSCTSLCTSK
SCHEMBL6685630 0.85 NPC1 (0.51) CTSSCTSLCTSKTRPV1
SCHEMBL5843619 0.84 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL5842262 0.84 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL6690343 0.84 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL6686940 0.83 CTSS (0.56) CTSSCTSLCTSKTRPV1
SCHEMBL6689357 0.83 CTSS (0.50) CTSSCTSLCTSKTRPV1
SCHEMBL6690062 0.82 CTSS (0.48) CTSSCTSLCTSKTRPV1
SCHEMBL6686619 0.81 CTSS (0.46) CTSSCTSLCTSK

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