SCHEMBL4788689

SCHEMBL4788689

COc1cc2c(cc1OC)CN(C(=O)C1CCCCC1(C(N)=O)C1(C#N)CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 11/20 0.46
▸ PDE4D Q08499 5/20 0.46
▸ DPP4 P27487 2/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL4789865 0.83 KEAP1 (0.51) DPP4DPP8DPP7HSD17B10MAPT
SCHEMBL4790305 0.82 USP30 (0.41) KMT2AMAPT
SCHEMBL4789901 0.81 HDAC6 (0.38) MAPT
SCHEMBL4789292 0.77 NAMPT (0.38) —
SCHEMBL4787927 0.77 CTSK (0.39) DPP4DPP8DPP7
SCHEMBL8111299 0.72 CTSK (0.67) —
SCHEMBL4788694 0.72 CTSK (0.67) —
SCHEMBL4584329 0.70 HRH3 (0.40) —
SCHEMBL4573491 0.69 CTSB (0.63) —
SCHEMBL4573200 0.68 CTSK (0.57) —

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-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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