SCHEMBL483469

SCHEMBL483469

CN1C(c2cccc(OCc3ccccc3)c2)CC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
MAOB P27338 2/20 0.48
NR4A2 P43354 1/20 0.47
FFAR2 O15552 1/20 0.47
SPHK1 Q9NYA1 2/20 0.47
KDM2B Q8NHM5 1/20 0.46
SPHK2 Q9NRA0 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 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
SCHEMBL483601 1.00 KCNH2 (0.51) KCNH2MAOBNR4A2FFAR2SPHK1
SCHEMBL311548 0.87 KCNH2 (0.59) KCNH2MAOBNR4A2FFAR2LMNA
SCHEMBL310922 0.87 KCNH2 (0.59) KCNH2MAOBNR4A2FFAR2LMNA
SCHEMBL310672 0.87 KCNH2 (0.59) KCNH2MAOBNR4A2FFAR2LMNA
SCHEMBL483621 0.87 KCNH2 (0.59) KCNH2MAOBNR4A2FFAR2LMNA
SCHEMBL2832488 0.86 FFAR2 (0.52) KCNH2MAOBNR4A2FFAR2SPHK1
SCHEMBL2840464 0.82 FFAR2 (0.46) KCNH2MAOBFFAR2SPHK1GRIN1
SCHEMBL2837028 0.80 KCNH2 (0.57) KCNH2MAOBNR4A2FFAR2SPHK1
SCHEMBL20886555 0.77 KCNH2 (0.56) KCNH2MAOBFFAR2LMNAKDM4E
SCHEMBL24310075 0.77 CHRNB2 (0.59) KCNH2MAOBSPHK1KDM2BSPHK2

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