SCHEMBL483272

SCHEMBL483272

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
SCN3A Q9NY46 2/20 0.58
PRMT5 O14744 1/20 0.46
FFAR2 O15552 3/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TRPC6 Q9Y210 2/20 0.45
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL2833695 0.89 KCNH2 (0.57) KCNH2SCN3APRMT5FFAR2ALDH1A1
SCHEMBL310303 0.83 KCNH2 (0.82) KCNH2SCN3AFFAR2PARP15PARP10
SCHEMBL310295 0.83 KCNH2 (0.82) KCNH2SCN3AFFAR2PARP15PARP10
SCHEMBL2833224 0.79 KCNH2 (0.57) KCNH2SCN3APRMT5ALDH1A1ALOX15
SCHEMBL1104551 0.78 KCNH2 (0.51) KCNH2SCN3APRMT5FFAR2TRPC6
SCHEMBL2836952 0.78 KCNH2 (0.83) KCNH2SCN3APRMT5ALDH1A1ALOX15
SCHEMBL2837757 0.78 KCNH2 (0.55) KCNH2SCN3APRMT5ALDH1A1ALOX15
SCHEMBL483699 0.78 KCNH2 (0.72) KCNH2SCN3AFFAR2PARP15PARP10
SCHEMBL1093299 0.78 KCNH2 (0.72) KCNH2SCN3AFFAR2PARP15PARP10
SCHEMBL2839989 0.77 KCNH2 (0.54) KCNH2SCN3APRMT5ALDH1A1ALOX15

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