SCHEMBL484118

SCHEMBL484118

COc1cc(C2CCC(C)(C(=O)O)N2C(=O)OC(C)(C)C)ccc1OCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
SCN3A Q9NY46 2/20 0.52
PRMT5 O14744 1/20 0.42
KMT2A Q03164 4/20 0.40
TRPC6 Q9Y210 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
EGFR P00533 1/20 0.37
PDE4B Q07343 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL482955 1.00 KCNH2 (0.52) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL1104549 0.93 KCNH2 (0.52) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483579 0.93 KCNH2 (0.56) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL2833224 0.90 KCNH2 (0.57) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483794 0.89 KCNH2 (0.51) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL1104545 0.86 KCNH2 (0.50) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL1104556 0.86 KCNH2 (0.50) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483695 0.86 KCNH2 (0.51) KCNH2SCN3APARP15PARP10
SCHEMBL483667 0.85 KCNH2 (0.54) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL2835713 0.84 KCNH2 (0.61) KCNH2SCN3APRMT5KMT2ATRPC6

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
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed