SCHEMBL484084

SCHEMBL484084

C[C@]1(C(N)=O)CCC(c2ccc(OCc3ccccc3F)cc2)N1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 11/20 0.62
KCNH2 Q12809 10/20 0.62
SCN9A Q15858 2/20 0.62
SCN1A P35498 1/20 0.62
SCN4A P35499 1/20 0.62
SCN7A Q01118 1/20 0.62
SCN5A Q14524 1/20 0.62
SCN2A Q99250 1/20 0.62
SCN8A Q9UQD0 1/20 0.62
SCN10A Q9Y5Y9 1/20 0.62
MAOB P27338 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2B6 P20813 1/20 0.61
CYP2C19 P33261 1/20 0.61
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
PARP10 Q53GL7 1/20 0.54
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48

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
SCHEMBL483157 1.00 SCN3A (0.62) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL483221 1.00 SCN3A (0.62) SCN3AKCNH2SCN9ASCN1ASCN4A
Hydrochloric Acid SCHEMBL483509 0.99 SCN3A (0.63) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL483705 0.85 KCNH2 (0.63) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL483476 0.85 KCNH2 (0.58) SCN3AKCNH2MAOBPARP10OPRM1
SCHEMBL483623 0.84 SCN3A (0.61) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL483864 0.84 KCNH2 (0.68) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL483250 0.84 KCNH2 (0.58) SCN3AKCNH2SCN9ASCN1ASCN4A
SCHEMBL1092326 0.84 KCNH2 (0.58) SCN3AKCNH2SCN9ASCN1ASCN4A
Hydrochloric Acid SCHEMBL1093198 0.84 SCN3A (0.62) SCN3AKCNH2SCN9ASCN1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP claimed