SCHEMBL5375167

SCHEMBL5375167

CCc1ccc(COC(=O)N2CCOC(CNC(=O)c3ccc(O)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
HPGD P15428 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14425341 1.00 ENPP2 (0.49) ENPP2F2PLGPRSS1PRSS2
SCHEMBL5378508 0.92 F2 (0.48) ENPP2F2PLGPRSS1PRSS2
SCHEMBL5370567 0.90 F2 (0.46) ENPP2F2PLGPRSS1PRSS2
SCHEMBL14425314 0.90 F2 (0.48) ENPP2F2PLGPRSS1PRSS2
SCHEMBL14425316 0.90 SMN1; SMN2 (0.54) ENPP2F2PLGPRSS1PRSS2
SCHEMBL14425446 0.90 SMN1; SMN2 (0.54) ENPP2F2PLGPRSS1PRSS2
SCHEMBL5363021 0.90 SMN1; SMN2 (0.54) ENPP2F2PLGPRSS1PRSS2
SCHEMBL14425445 0.90 F2 (0.48) ENPP2F2PLGPRSS1PRSS2
SCHEMBL5362085 0.90 F2 (0.48) ENPP2F2PLGPRSS1PRSS2
SCHEMBL14425436 0.90 MEN1 (0.50) ENPP2F2PLGPRSS1PRSS2

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