SCHEMBL4637674

SCHEMBL4637674

NC(=O)[C@@H]1CC[C@@H](c2ccccc2OCc2ccccc2)N1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 6/20 0.51
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
PTGS2 P35354 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL4710269 1.00 FFAR2 (0.51) FFAR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2712695 0.81 KCNH2 (0.55) FFAR2NPC1RAB9ASPHK1SPHK2
SCHEMBL2713220 0.81 KCNH2 (0.55) FFAR2NPC1RAB9ASPHK1SPHK2
SCHEMBL2714652 0.81 KCNH2 (0.55) FFAR2NPC1RAB9ASPHK1SPHK2
SCHEMBL2837028 0.78 KCNH2 (0.57) FFAR2NPC1RAB9ASPHK1SPHK2
SCHEMBL11662303 0.74 HTR1A (0.48) FFAR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL20835720 0.73 FFAR2 (0.42) FFAR2KMT2A
SCHEMBL2837206 0.71 FFAR2 (0.54) FFAR2RAB9A
SCHEMBL2835415 0.71 FFAR2 (0.54) FFAR2RAB9A
SCHEMBL2832359 0.71 FFAR2 (0.54) FFAR2RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1934177-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed