SCHEMBL3350490

SCHEMBL3350490

Cc1ccc(-c2ccccc2C(=O)N2CCOC2C(N)=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HTR7 P34969 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
SCHEMBL3350496 0.83 HCRTR1 (0.43) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL1398915 0.81 HCRTR1 (0.47) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL2635037 0.78 HCRTR1 (0.43) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL4311858 0.77 HCRTR1 (0.47) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL3345948 0.76 HCRTR2 (0.38) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL3311253 0.76 HCRTR1 (0.41) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL1398919 0.75 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL2931084 0.75 HCRTR2 (0.44) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL3412528 0.75 HCRTR2 (0.44) HCRTR1HCRTR2ALOX5APFEN1MEN1
SCHEMBL3343763 0.74 HCRTR1 (0.49) HCRTR1HCRTR2

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-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed