SCHEMBL6685224

SCHEMBL6685224

COc1ccc(NCCNC(=O)C(CNC(=O)c2ccncc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.57
CTSK P43235 11/20 0.57
CTSL P07711 9/20 0.57
CYP24A1 Q07973 1/20 0.48
MAPT P10636 1/20 0.47

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 0.86 CTSL (0.65) CTSSCTSKCTSL
SCHEMBL6690048 0.84 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6693130 0.83 CTSL (0.61) CTSSCTSKCTSLMAPT
SCHEMBL6685689 0.83 CTSL (0.70) CTSSCTSKCTSL
SCHEMBL6693219 0.82 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6687707 0.81 CTSL (0.58) CTSSCTSKCTSL
SCHEMBL6685227 0.81 CTSS (0.55) CTSSCTSKCTSL
SCHEMBL6687754 0.80 CTSL (0.69) CTSSCTSKCTSL
SCHEMBL6685687 0.80 CTSL (0.78) CTSSCTSKCTSL
SCHEMBL6686677 0.80 CTSS (0.56) CTSSCTSKCTSL

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