SCHEMBL483746

SCHEMBL483746

CN1CC[C@]2(CC[C@](c3cccc(OCc4ccccc4F)c3)(C(C)(C)C)N2C(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 3/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
MCHR1 Q99705 3/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
KCNH2 Q12809 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MMP1 P03956 2/20 0.34
PTPN1 P18031 1/20 0.34
ADAM17 P78536 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL310843 0.91 MAOB (0.42) MEN1KMT2ARAB9AMAOBMCHR1
SCHEMBL483534 0.85 HPD (0.39) HPDMEN1KMT2ARAB9AMAOB
SCHEMBL483539 0.84 HPD (0.40) HPDMEN1KMT2ARAB9AMAOB
SCHEMBL483226 0.84 HPD (0.40) HPDMEN1KMT2ARAB9AMAOB
SCHEMBL483563 0.77 MAOB (0.41) RAB9AMAOBPARP15PARP10KCNH2
SCHEMBL310837 0.77 MAOB (0.41) RAB9AMAOBPARP15PARP10KCNH2
SCHEMBL484166 0.76 MAOB (0.40) RAB9AMAOBPARP15PARP10KCNH2
SCHEMBL483703 0.76 MAOB (0.40) RAB9AMAOBPARP15PARP10KCNH2
SCHEMBL2837250 0.75 KCNH2 (0.42) HPDMEN1KMT2AMAOBF2
SCHEMBL483745 0.72 BTK (0.40) HPDMAOBF2F10KCNH2

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