SCHEMBL4590328

SCHEMBL4590328

C[C@@H]1CN(c2ccc(OC3CC3)cc2)CCN1C(=O)C1CCCCC1(C(N)=O)C1(C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 13/20 0.44
▸ CTSS P25774 13/20 0.44
▸ CTSK P43235 13/20 0.44
▸ ACACB O00763 7/20 0.35

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
SCHEMBL4590334 1.00 CTSB (0.44) CTSBCTSSCTSKACACB
SCHEMBL4573491 0.81 CTSB (0.63) CTSBCTSSCTSK
SCHEMBL4590330 0.75 CTSB (0.77) CTSBCTSSCTSK
SCHEMBL8109875 0.73 CTSB (0.58) CTSBCTSSCTSKACACB
SCHEMBL4589989 0.72 ACACB (0.49) ACACB
SCHEMBL4573200 0.71 CTSK (0.57) CTSBCTSSCTSK
SCHEMBL4589748 0.70 CTSB (0.54) CTSBCTSSCTSK
SCHEMBL4573253 0.69 CTSK (0.39) CTSBCTSSCTSKACACB
SCHEMBL4573950 0.69 CTSS (0.45) CTSBCTSSCTSK
SCHEMBL4573015 0.68 CTSK (0.38) CTSBCTSSCTSK

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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