SCHEMBL23810318

SCHEMBL23810318

COC1(c2ccc(-c3ccc4cc(C(=O)NC5(C(=O)NC6(C#N)CC6)CCCCC5)oc4c3)cc2)CNC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.41
▸ CTSS P25774 13/20 0.38
▸ CTSK P43235 8/20 0.38
▸ CTSB P07858 11/20 0.38
▸ TACR2 P21452 1/20 0.32

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
SCHEMBL18615882 0.91 CTSL (0.42) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18615930 0.84 CTSL (0.46) CTSLCTSSCTSKCTSBTACR2
SCHEMBL23810312 0.84 CTSL (0.49) CTSLCTSSCTSKCTSBTACR2
SCHEMBL23810263 0.83 CTSS (0.35) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18616610 0.83 CTSL (0.40) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18616609 0.83 CTSL (0.45) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18616834 0.83 CTSL (0.45) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18615883 0.83 CTSL (0.45) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18616484 0.82 CTSL (0.44) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18615884 0.82 CTSL (0.44) CTSLCTSSCTSKCTSBTACR2

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
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
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