SCHEMBL20341833

SCHEMBL20341833

N=CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(C6(F)COC6)cc5)cc4o3)CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.36
▸ CTSL P07711 5/20 0.36
▸ CTSB P07858 5/20 0.36
▸ CTSK P43235 1/20 0.35
▸ TACR2 P21452 2/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL23810294 0.91 TACR2 (0.35) CTSSCTSLCTSBCTSKTACR2
SCHEMBL23810272 0.88 CTSS (0.34) CTSSCTSLCTSBCTSKTACR2
SCHEMBL18615885 0.85 CTSL (0.44) CTSSCTSLCTSBCTSKTACR2
SCHEMBL20341824 0.83 CTSS (0.34) CTSSCTSLCTSBCTSKTACR2
SCHEMBL23810313 0.82 TACR2 (0.33) CTSSCTSKTACR2
SCHEMBL20341777 0.82 TACR2 (0.32) TACR2
SCHEMBL20341822 0.78 CTSS (0.32) CTSSCTSK
SCHEMBL23810248 0.77 CTSS (0.39) CTSSCTSLCTSBCTSKTACR2
SCHEMBL20341768 0.77 ERN1 (0.39) TACR2
SCHEMBL23810242 0.76 NAMPT (0.40) ERAP1

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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