SCHEMBL4359880

SCHEMBL4359880

N#CC1(N2CCCCC2)COC(=O)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
IDH1 O75874 2/20 0.34
HSD11B1 P28845 4/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2A Q12879 5/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PRCP P42785 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3570167 0.79 IDH1 (0.38) IDH1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL2725134 0.76 GRIN1 (0.35) MAPTIDH1HSD11B1GRIN1GRIN2A
Methane SCHEMBL3623097 0.75 GRIN1 (0.34) MAPTIDH1HSD11B1GRIN1GRIN2A
SCHEMBL7812799 0.71 ALDH1A1 (0.35) IDH1HSD11B1ALDH1A1KMT2APOLB
SCHEMBL3578040 0.70 IDH1 (0.33) MAPTIDH1GRIN1GRIN2AALDH1A1
Propene SCHEMBL3656717 0.70 GRIN1 (0.33) IDH1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL20340441 0.69 IDH1 (0.46) MAPTIDH1HSD11B1ALDH1A1GAA
Acetamide SCHEMBL3579500 0.68 ALDH1A1 (0.35) MAPTIDH1GRIN1GRIN2AALDH1A1
SCHEMBL2945348 0.68 GRIN1 (0.40) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL5418053 0.67 IDH1 (0.38) IDH1ALDH1A1ALOX5

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
EP-2072513-A1 A cyano piperidinyl-phenil-oxazolidinone and use thereof Ferrer Internacional, S.A. (ES) 2009-06-24 EP disclosed