SCHEMBL5812840

SCHEMBL5812840

NC(=O)CNC(=O)c1cccnc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.59
CNR1 P21554 4/20 0.59
MAPK8 P45983 1/20 0.55
SPHK2 Q9NRA0 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49
SGMS2 Q8NHU3 2/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL5717635 0.83 ALDH1A1 (0.73) MAPK8ALDH1A1GAA
SCHEMBL27668367 0.82 L3MBTL1 (0.58) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL12062500 0.80 L3MBTL1 (0.51) MAPK8SPHK2L3MBTL1ALDH1A1SGMS2
SCHEMBL3514563 0.79 CNR2 (0.56) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL3604199 0.79 L3MBTL1 (0.61) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL15132068 0.76 L3MBTL1 (0.62) CNR2CNR1MAPK8L3MBTL1SGMS2
SCHEMBL31261717 0.75 SGMS2 (0.76) SGMS2
SCHEMBL5387944 0.73 CNR2 (0.52) CNR2CNR1L3MBTL1GAASGMS2
SCHEMBL4429301 0.72 SPHK2 (0.63) SPHK2ALDH1A1
SCHEMBL7972503 0.72 KMT2A (0.60) L3MBTL1ALDH1A1GAAHPGD

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-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed