SCHEMBL18617414

SCHEMBL18617414

N#CC1(NC(=O)C2(NC(=O)c3cc4ccc(-c5ccc(N(N)C=N)cc5)cc4o3)CCC(F)(F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.36
▸ CTSS P25774 3/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CTSB P07858 3/20 0.33

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
SCHEMBL20341778 0.93 CTSL (0.37) CTSLCTSSCTSKCTSB
SCHEMBL23810284 0.91 CTSL (0.36) CTSLCTSSCTSKCTSB
SCHEMBL18616632 0.91 CTSL (0.36) CTSLCTSSCTSKCTSB
SCHEMBL23810253 0.91 CTSL (0.35) CTSLCTSSCTSKCTSB
SCHEMBL23810311 0.89 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL18615979 0.86 CTSL (0.32) CTSL
SCHEMBL20341764 0.83 CTSL (0.38) CTSLCTSSCTSKCTSB
SCHEMBL20341771 0.83 CTSL (0.38) CTSLCTSSCTSKCTSB
SCHEMBL20335438 0.83 CTSL (0.38) CTSLCTSSCTSKCTSB
SCHEMBL20341786 0.83 CTSL (0.38) 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 2 patents. 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
WO-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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