SCHEMBL3396546

SCHEMBL3396546

COc1ccc2ncnc(O[C@H]3CNC[C@H]3O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.45
MTNR1A P48039 4/20 0.45
BRAF P15056 2/20 0.42
RAF1 P04049 1/20 0.42
MAPT P10636 1/20 0.41
GRM1 Q13255 1/20 0.41
EGFR P00533 5/20 0.40
LCK P06239 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
LMNA P02545 1/20 0.40
CSF1R P07333 2/20 0.39
NCF1 P14598 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 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
SCHEMBL18255965 1.00 MTNR1B (0.45) MTNR1BMTNR1ABRAFRAF1MAPT
SCHEMBL3396544 1.00 MTNR1B (0.45) MTNR1BMTNR1ABRAFRAF1MAPT
SCHEMBL633747 0.77 PIK3CD (0.45) MTNR1BMTNR1ABRAFMAPTGRM1
SCHEMBL633748 0.77 PIK3CD (0.45) MTNR1BMTNR1ABRAFMAPTGRM1
SCHEMBL633927 0.77 PIK3CD (0.45) MTNR1BMTNR1ABRAFMAPTGRM1
SCHEMBL634124 0.77 CYP1A2 (0.48) MTNR1BMTNR1ABRAFRAF1MAPT
SCHEMBL633222 0.77 MTNR1B (0.47) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL11243697 0.73 TDP1 (0.42) LMNA
SCHEMBL11243695 0.73 TDP1 (0.42) LMNA
SCHEMBL11243701 0.73 TDP1 (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed