SCHEMBL8107799

SCHEMBL8107799

CCCCOc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(N)CC3)C(C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.55
▸ CTSB P07858 13/20 0.55
▸ CTSS P25774 13/20 0.55
▸ FAAH O00519 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8113151 0.78 CTSB (0.55) CTSKCTSBCTSS
SCHEMBL8111374 0.75 CTSB (0.59) CTSKCTSBCTSS
SCHEMBL8099548 0.74 CTSK (0.68) CTSKCTSBCTSS
SCHEMBL8113087 0.74 CTSK (0.65) CTSKCTSBCTSS
SCHEMBL8107689 0.72 CTSB (0.57) CTSKCTSBCTSS
SCHEMBL4590330 0.69 CTSB (0.77) CTSKCTSBCTSS
SCHEMBL20139542 0.66 MGLL (0.51) FAAH
SCHEMBL13106499 0.66 GRIN1 (0.58) KDM4EL3MBTL1
SCHEMBL8104024 0.64 CTSB (1.00) CTSKCTSBCTSS
SCHEMBL13106304 0.64 MEN1 (0.56) —

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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