SCHEMBL20384127

SCHEMBL20384127

N#C[C@H](Cc1ccc(C2CCN(C3COC3)C2)cc1F)NC(=O)[C@H]1NC2CCC1C2

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.83
▸ CTSK P43235 9/20 0.81

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
SCHEMBL17483524 1.00 CTSC (0.83) CTSCCTSK
SCHEMBL17483525 0.96 CTSC (0.91) CTSCCTSK
SCHEMBL20384130 0.96 CTSC (0.91) CTSCCTSK
SCHEMBL17474632 0.95 CTSC (0.90) CTSCCTSK
SCHEMBL20384072 0.95 CTSC (0.90) CTSCCTSK
SCHEMBL20384090 0.93 CTSC (0.78) CTSCCTSK
SCHEMBL20384082 0.93 CTSC (0.78) CTSCCTSK
SCHEMBL17483526 0.93 CTSC (0.78) CTSCCTSK
SCHEMBL22642988 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL16064760 0.91 CTSC (1.00) CTSCCTSK

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-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 — — EP disclosed
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