SCHEMBL5368192

SCHEMBL5368192

O=C(NCC1CCN(C(=O)OCc2ccc(F)cc2)CCO1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.54
TPSD1 Q9BZJ3 2/20 0.54
TPSG1 Q9NRR2 2/20 0.54
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
GRIN2B Q13224 1/20 0.48
HPGD P15428 7/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.44
NAMPT P43490 3/20 0.44
POLB P06746 1/20 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
SCHEMBL14425463 1.00 TPSAB1 (0.54) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL5362085 0.91 F2 (0.48) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL14425445 0.91 F2 (0.48) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL14425314 0.91 F2 (0.48) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL14425462 0.90 F2 (0.54) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL5366865 0.90 F2 (0.54) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL14425465 0.90 SMN1; SMN2 (0.58) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL5362299 0.90 SMN1; SMN2 (0.58) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL14425466 0.90 F2 (0.53) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL5370633 0.90 F2 (0.53) TPSAB1TPSD1TPSG1F2PLG

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