SCHEMBL13311482

SCHEMBL13311482

COC(=O)[C@@H]1CCC(c2ccc(OCc3ccccc3F)c(N)c2)=N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.43
KCNH2 Q12809 3/20 0.43
TRPC6 Q9Y210 2/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MET P08581 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PRKCZ Q05513 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1104548 0.90 KCNH2 (0.50) SCN3AKCNH2TRPC6PARP15PARP10
SCHEMBL12973320 0.87 KCNH2 (0.51) SCN3AKCNH2ALDH1A1
SCHEMBL22546709 0.84 MAOB (0.49) SCN3AKCNH2PARP15PARP10SMN1; SMN2
SCHEMBL29385120 0.84 MAOB (0.49) SCN3AKCNH2PARP15PARP10SMN1; SMN2
SCHEMBL310302 0.84 MAOB (0.49) SCN3AKCNH2PARP15PARP10SMN1; SMN2
SCHEMBL2836385 0.81 KCNH2 (0.51) SCN3AKCNH2TRPC6PARP15PARP10
SCHEMBL12973299 0.79 MAOB (0.47) SCN3AKCNH2PARP15PARP10MAPT
SCHEMBL12973331 0.79 SCN3A (0.50) SCN3AKCNH2PARP15PARP10
SCHEMBL2831532 0.77 KCNH2 (0.52) KCNH2
SCHEMBL12973315 0.76 KMT2A (0.42) MAPTALDH1A1PKMMEN1HPGD

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
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed