SCHEMBL5366865

SCHEMBL5366865

Cc1ccc(COC(=O)N2CCOC(CNC(=O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TPSAB1 Q15661 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
GRIN2B Q13224 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 2/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL14425462 1.00 F2 (0.54) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5378508 0.91 F2 (0.48) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5362299 0.90 SMN1; SMN2 (0.58) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5368192 0.90 TPSAB1 (0.54) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425465 0.90 SMN1; SMN2 (0.58) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425463 0.90 TPSAB1 (0.54) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425466 0.90 F2 (0.53) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5370633 0.90 F2 (0.53) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14425467 0.90 F2 (0.53) F2PLGPRSS1PRSS2PRSS3
SCHEMBL5368197 0.86 TPSAB1 (0.72) 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 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