SCHEMBL5370567

SCHEMBL5370567

CC(C)(C)c1ccc(COC(=O)N2CCOC(CNC(=O)c3ccc(O)cc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
ESRRG P62508 3/20 0.46
ESRRB O95718 1/20 0.46
ENPP2 Q13822 3/20 0.46
GRIN2B Q13224 1/20 0.46
LMNA P02545 4/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 6/20 0.42

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
SCHEMBL5368400 0.91 ENPP2 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5375167 0.90 ENPP2 (0.49) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5378508 0.90 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425341 0.90 ENPP2 (0.49) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425314 0.89 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425445 0.89 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425316 0.89 SMN1; SMN2 (0.54) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5363021 0.89 SMN1; SMN2 (0.54) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5362085 0.89 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425446 0.89 SMN1; SMN2 (0.54) F2PLGPRSS1PRSS2PRSS3

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