SCHEMBL4573111

SCHEMBL4573111

N#CC1(C2(C(N)=O)CCCCC2C(=O)N2CCC(c3ccccn3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.47
▸ HSD11B1 P28845 2/20 0.47
▸ SPR P35270 1/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ PRMT5 O14744 4/20 0.39
▸ WDR77 Q9BQA1 4/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ACKR3 P25106 1/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ UCHL1 P09936 1/20 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
SCHEMBL4573371 0.83 HSD11B1 (0.48) HSD11B1SPRPRMT5WDR77NAMPT
SCHEMBL4789865 0.75 KEAP1 (0.51) —
SCHEMBL29640084 0.73 HSD11B1 (0.59) USP30HSD11B1SPRKDM5APRMT5
SCHEMBL8115969 0.72 CTSK (0.61) USP30
SCHEMBL4584329 0.72 HRH3 (0.40) —
SCHEMBL4573950 0.70 CTSS (0.45) —
SCHEMBL4573929 0.70 DRD2 (0.40) NAMPTDRD2
SCHEMBL4789292 0.70 NAMPT (0.38) NAMPTUCHL1
SCHEMBL2806341 0.69 HSD11B1 (0.60) USP30HSD11B1SPRKDM5APRMT5
SCHEMBL4787927 0.69 CTSK (0.39) UCHL1

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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