SCHEMBL5370671

SCHEMBL5370671

O=C(NCC1CN(C(=O)OC2Cc3ccccc3C2)CCO1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.42
PRMT5 O14744 6/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ENPP2 Q13822 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14425436 0.82 MEN1 (0.50) HPGDMEN1KMT2AGRIN2BLMNA
SCHEMBL5368740 0.82 MEN1 (0.50) HPGDMEN1KMT2AGRIN2BLMNA
SCHEMBL14425317 0.82 MEN1 (0.50) HPGDMEN1KMT2AGRIN2BLMNA
SCHEMBL14425360 0.81 GRIN2B (0.47) NAMPTHPGDMEN1KMT2AGRIN2B
SCHEMBL5365350 0.81 GRIN2B (0.47) NAMPTHPGDMEN1KMT2AGRIN2B
SCHEMBL5359891 0.81 GRIN2B (0.61) NAMPTGRIN2BPRMT5KDM4EF2
SCHEMBL5359420 0.80 GRIN2B (0.46) NAMPTHPGDMEN1KMT2AGRIN2B
SCHEMBL5358920 0.80 ESR1 (0.47) NAMPTHPGDMEN1KMT2AGRIN2B
SCHEMBL14425361 0.79 F2 (0.46) HPGDMEN1KMT2ALMNAENPP2
SCHEMBL5360990 0.79 GRIN2B (0.47) NAMPTHPGDMEN1KMT2AGRIN2B

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