Mexiletine

Mexiletine

SCHEMBL6665250

Cc1cccc(C)c1OCC(C)N.Cc1cccc(C)c1OCC(C)N.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Mexiletine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A known ✓ Q14524 3/20 1.00
SCN1A known ✓ P35498 2/20 1.00
SCN9A known ✓ Q15858 2/20 1.00
SCN4A known ✓ P35499 10/20 0.96
SCN7A known ✓ Q01118 1/20 0.96
SCN2A known ✓ Q99250 1/20 0.96
SCN3A known ✓ Q9NY46 1/20 0.96
SCN11A known ✓ Q9UI33 1/20 0.96
SCN8A known ✓ Q9UQD0 1/20 0.96
SCN10A known ✓ Q9Y5Y9 1/20 0.96
LMNA P02545 3/20 1.00
CYP2D6 P10635 3/20 0.96
CYP1A2 P05177 2/20 0.96
CYP3A4 P08684 2/20 0.96
NFKB1 P19838 2/20 0.96
TSHR P16473 2/20 0.96
MAOA P21397 2/20 0.96
CYP2C9 P11712 1/20 0.96
KCNK3 O14649 1/20 0.96
CACNA1F O60840 1/20 0.96

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
Mexiletine SCHEMBL6521444 1.00 SCN5A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
(S)-Mexiletine SCHEMBL3645798 1.00 SCN5A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
Mexiletine SCHEMBL42226 1.00 SCN5A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
(R)-Mexiletine SCHEMBL29366590 1.00 SCN5A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
(S)-Mexiletine SCHEMBL13046569 0.98 SCN4A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
(R)-Mexiletine SCHEMBL16082 0.98 SCN4A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
Mexiletine SCHEMBL8858385 0.98 SCN4A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
Mexiletine SCHEMBL16081 0.98 SCN4A (1.00) SCN5ALMNASCN1ASCN9ASCN4A
Mexiletine SCHEMBL1652207 0.94 SCN4A (0.92) SCN5ALMNASCN1ASCN9ASCN4A
Mexiletine SCHEMBL8819167 0.88 SCN4A (0.80) SCN5ALMNASCN1ASCN9ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137065-A2 COMPOSITIONS, METHODS AND USES FOR THE TREATMENT OF DIABETIC NEUROPATHIES Pharnext (FR) 2017-03-08 EP disclosed
WO-2015165948-A2 COMPOSITIONS, METHODS AND USES FOR THE TREATMENT OF DIABETIC NEUROPATHIES PHARNEXT (FR) 2015-11-05 WO disclosed
EP-2560631-A2 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROGICAL DISORDERS Pharnext (FR) 2013-02-27 EP disclosed
WO-2012117076-A2 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROGICAL DISORDERS PHARNEXT (FR) 2012-09-07 WO disclosed
WO-2004014841-A1 COMPOUNDS, PRO-DRUGS AND CONJUGATES DERIVED FROM MEXILETINE SIRUS PHARMACEUTICALS LTD (GB) 2004-02-19 WO disclosed