SCHEMBL4712753

SCHEMBL4712753

CNC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.58
SCN3A Q9NY46 7/20 0.50
BTK Q06187 1/20 0.49
FFAR2 O15552 1/20 0.46
SCN1A P35498 1/20 0.44
SCN4A P35499 1/20 0.44
SCN7A Q01118 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MAOB P27338 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 1/20 0.42
MMP1 P03956 3/20 0.42
ADAM17 P78536 2/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL12206746 1.00 KCNH2 (0.58) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL1104532 0.90 KCNH2 (0.59) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL29388566 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL22546665 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL839658 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL24491222 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL310422 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL840053 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL29989600 0.89 KCNH2 (0.71) KCNH2SCN3ABTKFFAR2SCN1A
SCHEMBL2832640 0.88 KCNH2 (0.63) KCNH2SCN3AFFAR2SCN1ASCN4A

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