SCHEMBL5364667

SCHEMBL5364667

O=C(NCC1CN(C(=O)OCc2ccc(OCc3ccccc3)cc2)CCO1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ENPP2 Q13822 1/20 0.44
CHRM4 P08173 2/20 0.43

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
SCHEMBL14425362 1.00 HPGD (0.52) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL14425317 0.94 MEN1 (0.50) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL14425436 0.94 MEN1 (0.50) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5368740 0.94 MEN1 (0.50) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5366862 0.90 F2 (0.46) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL14425361 0.90 F2 (0.46) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5362334 0.87 ENPP2 (0.47) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5375167 0.86 ENPP2 (0.49) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL14425341 0.86 ENPP2 (0.49) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL14425445 0.86 F2 (0.48) HPGDSMN1; SMN2LMNAALDH1A1GAA

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
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed