SCHEMBL6017523

SCHEMBL6017523

CCN1CCC(CC#N)(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.36
CTSK P43235 10/20 0.35
CTSS P25774 7/20 0.35
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
DRD2 P14416 4/20 0.34
CTSB P07858 2/20 0.33
CTSD P07339 1/20 0.33
CACNA1H O95180 1/20 0.33
PPIA P62937 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
SCHEMBL4419835 0.82 JAK2 (0.37)
SCHEMBL23299665 0.82 CTSL (0.38) CTSLCTSKCTSSDRD2CTSB
SCHEMBL7608833 0.81 CTSL (0.43) CTSLCTSKCTSSCTSBCTSD
SCHEMBL27648998 0.80 JAK2 (0.37) CTSLCTSKCTSSCTSBCTSD
SCHEMBL4418580 0.79 JAK2 (0.39)
SCHEMBL3370066 0.78 CTSL (0.41) CTSLCTSKCTSSCTSB
SCHEMBL22765979 0.77 P2RX7 (0.41) CTSLCTSKCTSSCTSB
SCHEMBL23276791 0.75 CTSL (0.39) CTSLCTSKCTSSCTSBCTSD
SCHEMBL20328214 0.73 DRD2 (0.39) CTSLCTSKNPFFR1NPFFR2DRD2
SCHEMBL20069700 0.72 CACNA1H (0.37) CTSLCTSKNPFFR1NPFFR2DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699795-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005058908-A1 SUBSTITUTED 8’-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2005-06-30 WO disclosed