SCHEMBL23693157

SCHEMBL23693157

CC(C)C[C@H](N[C@@H](c1ccc2c(c1)oc1ccc(-c3ccn[nH]3)cc12)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.59
CTSL P07711 7/20 0.59
CTSB P07858 4/20 0.55
CTSS P25774 4/20 0.55
CTSV O60911 1/20 0.44
CTSF Q9UBX1 1/20 0.44

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
SCHEMBL23693746 1.00 CTSK (0.59) CTSKCTSLCTSBCTSSCTSV
SCHEMBL23693691 0.88 CTSK (0.57) CTSKCTSLCTSBCTSS
SCHEMBL23693525 0.88 CTSK (0.57) CTSKCTSLCTSBCTSS
SCHEMBL23693155 0.88 CTSK (0.58) CTSKCTSLCTSBCTSS
SCHEMBL23693869 0.88 CTSK (0.58) CTSKCTSLCTSBCTSS
SCHEMBL23693866 0.86 CTSK (0.58) CTSKCTSLCTSBCTSSCTSV
SCHEMBL23693607 0.86 CTSL (0.71) CTSKCTSLCTSBCTSS
SCHEMBL23693796 0.86 CTSL (0.64) CTSKCTSLCTSBCTSS
SCHEMBL29887096 0.85 CTSK (0.57) CTSKCTSLCTSBCTSS
SCHEMBL29887065 0.85 CTSK (0.57) CTSKCTSLCTSBCTSS

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-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed