SCHEMBL483581

SCHEMBL483581

COc1cc([C@H]2CC(C(C)(C)C)[C@@](C)(C(N)=O)N2C(=O)O)ccc1OCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
SCN3A Q9NY46 6/20 0.55
PRMT5 O14744 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TRPC6 Q9Y210 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
APP P05067 2/20 0.38
EGFR P00533 1/20 0.38
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL483668 0.88 KCNH2 (0.53) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL310676 0.86 KCNH2 (0.54) KCNH2SCN3APARP15PARP10SCN1A
SCHEMBL483795 0.86 KCNH2 (0.54) KCNH2SCN3APARP15PARP10SCN1A
SCHEMBL2835713 0.83 KCNH2 (0.61) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL2833224 0.78 KCNH2 (0.57) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL2837170 0.78 KCNH2 (0.57) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL483579 0.78 KCNH2 (0.56) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL2837757 0.75 KCNH2 (0.55) KCNH2SCN3APRMT5PARP15PARP10
SCHEMBL483295 0.75 KCNH2 (0.51) KCNH2SCN3APARP15PARP10SCN1A
SCHEMBL2839989 0.75 KCNH2 (0.54) KCNH2SCN3APRMT5PARP15PARP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed