SCHEMBL13311528

SCHEMBL13311528

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.78
SCN3A Q9NY46 9/20 0.78
SCN1A P35498 1/20 0.72
SCN4A P35499 1/20 0.72
SCN7A Q01118 1/20 0.72
SCN5A Q14524 1/20 0.72
SCN9A Q15858 1/20 0.72
SCN2A Q99250 1/20 0.72
SCN8A Q9UQD0 1/20 0.72
SCN10A Q9Y5Y9 1/20 0.72
CYP1A2 P05177 1/20 0.70
CYP2B6 P20813 1/20 0.70
MAOB P27338 1/20 0.70
CYP2C19 P33261 1/20 0.70

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
SCHEMBL13311070 0.89 KCNH2 (0.68) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2833529 0.88 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2833631 0.87 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2832377 0.86 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2830685 0.85 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL862457 0.84 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL311438 0.84 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL311437 0.84 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL862301 0.84 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL840590 0.84 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A

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