SCHEMBL483534

SCHEMBL483534

CC(C)(C)[C@@]1(c2cccc(OCc3ccccc3F)c2)CC[C@]2(CCNC2=O)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.39
SCN3A Q9NY46 3/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.35
GSK3B P49841 1/20 0.35
MAOB P27338 3/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PTPN1 P18031 2/20 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
SCHEMBL483539 0.95 HPD (0.40) HPDSCN3AKCNH2MEN1KMT2A
SCHEMBL483226 0.95 HPD (0.40) HPDSCN3AKCNH2MEN1KMT2A
SCHEMBL483563 0.91 MAOB (0.41) SCN3AKCNH2PARP15PARP10RAB9A
SCHEMBL310837 0.91 MAOB (0.41) SCN3AKCNH2PARP15PARP10RAB9A
SCHEMBL484166 0.86 MAOB (0.40) SCN3AKCNH2PARP15PARP10RAB9A
SCHEMBL483703 0.86 MAOB (0.40) SCN3AKCNH2PARP15PARP10RAB9A
SCHEMBL483746 0.85 HPD (0.39) HPDSCN3AKCNH2MEN1KMT2A
SCHEMBL483474 0.80 GRIN1 (0.34)
SCHEMBL483669 0.78 FFAR1 (0.42) KCNH2MAOB
SCHEMBL310843 0.76 MAOB (0.42) SCN3AKCNH2MEN1KMT2APARP15

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