SCHEMBL20341812

SCHEMBL20341812

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 3/20 0.33
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ CTSB P07858 2/20 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 0.85 CTSL (0.42) CACNA1HCTSSCTSKCTSB
SCHEMBL23810263 0.79 CTSS (0.35) CACNA1HCTSSCTSKCTSB
SCHEMBL18616610 0.77 CTSL (0.40) CTSSCTSKCTSB
SCHEMBL23810318 0.77 CTSL (0.41) CTSSCTSKCTSB
SCHEMBL23810272 0.74 CTSS (0.34) CACNA1HCTSSCTSKCTSB
SCHEMBL18616474 0.74 CTSK (0.33) CTSSCTSKCTSB
SCHEMBL18616609 0.73 CTSL (0.45) CTSSCTSKCTSB
SCHEMBL18616834 0.73 CTSL (0.45) CTSSCTSKCTSB
SCHEMBL18615883 0.73 CTSL (0.45) CTSSCTSKCTSB
SCHEMBL18615885 0.73 CTSL (0.44) CACNA1HCTSSCTSKCTSB

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-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
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