SCHEMBL23810255

SCHEMBL23810255

C[S+]([O-])c1ccc(-c2ccc3cc(C(=O)NC4(C(=O)NC5(C#N)CC5)CCCCCC4)oc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 13/20 0.45
▸ CTSS P25774 14/20 0.39
▸ CTSK P43235 8/20 0.39
▸ CTSB P07858 12/20 0.38
▸ TACR2 P21452 1/20 0.34

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
SCHEMBL23810246 1.00 CTSL (0.45) CTSLCTSSCTSKCTSBTACR2
SCHEMBL23810283 0.91 CTSL (0.38) CTSLCTSSCTSKCTSB
SCHEMBL23810312 0.88 CTSL (0.49) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18616546 0.88 CTSL (0.45) CTSLCTSSCTSKCTSB
SCHEMBL18616651 0.88 CTSL (0.45) CTSLCTSSCTSKCTSB
SCHEMBL18615940 0.88 CTSL (0.45) CTSLCTSSCTSKCTSBTACR2
SCHEMBL18615881 0.87 CTSL (0.46) CTSLCTSSCTSKCTSB
SCHEMBL20341808 0.86 CTSL (0.47) CTSLCTSSCTSKCTSBTACR2
SCHEMBL23810251 0.85 CTSL (0.43) CTSLCTSSCTSKCTSB
SCHEMBL20341781 0.85 CTSL (0.40) CTSLCTSSCTSKCTSB

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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