SCHEMBL4573263

SCHEMBL4573263

CNC(=O)C(C)(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP2C19 P33261 1/20 0.55
NAMPT P43490 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GPR119 Q8TDV5 7/20 0.52
TSHR P16473 1/20 0.51
NPY2R P49146 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK2 Q15119 1/20 0.46

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
SCHEMBL4574386 0.87 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5573222 0.85 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL12781689 0.84 MAPT (0.67) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL12089783 0.82 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1459696 0.81 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6917550 0.81 NAMPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13853617 0.80 NAMPT (0.66) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2056118 0.79 GPR119 (0.77) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL381360 0.79 MAPT (0.68) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL20423379 0.79 KMT2A (0.60) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed