SCHEMBL4573929

SCHEMBL4573929

N#CC1(C2(C(N)=O)CCCCC2C(=O)N2CCN(c3nccc4occc34)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.40
▸ HTR2A P28223 13/20 0.40
▸ DRD3 P35462 13/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ PHGDH O43175 1/20 0.37

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
SCHEMBL8100150 0.75 CTSB (0.61) —
SCHEMBL4573200 0.72 CTSK (0.57) —
SCHEMBL4573950 0.71 CTSS (0.45) —
SCHEMBL4573111 0.70 USP30 (0.47) DRD2NAMPT
SCHEMBL4589748 0.70 CTSB (0.54) —
SCHEMBL4573253 0.70 CTSK (0.39) —
SCHEMBL4573015 0.69 CTSK (0.38) —
SCHEMBL4584329 0.69 HRH3 (0.40) —
SCHEMBL15971640 0.69 HTR2C (0.61) DRD2HTR2ADRD3HTR2CNAMPT
SCHEMBL4573371 0.69 HSD11B1 (0.48) NAMPT

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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