SCHEMBL2839899

SCHEMBL2839899

CN(C)c1nc(CCNC(=O)O)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
CTRC Q99895 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCP P55072 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL2842751 0.93 CTRC (0.42) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2838220 0.92 CTRC (0.41) KDM4EHPGDMAPTTP53CTRC
SCHEMBL6027920 0.88 KDM4E (0.46) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2839700 0.85 KDM4E (0.48) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2409791 0.82 POLB (0.40) KDM4EHPGDMAPTTP53MEN1
SCHEMBL2836839 0.78 CTRC (0.45) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2840065 0.77 KMO (0.54) KDM4EHPGDMAPTTP53ALDH1A1
SCHEMBL2841068 0.77 CTRC (0.44) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2411128 0.76 POLB (0.38) KDM4EHPGDMAPTTP53CTRC
SCHEMBL2416165 0.75 POLB (0.38) KDM4EHPGDMAPTTP53CTRC

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-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed