SCHEMBL2398604

SCHEMBL2398604

N[C@@H](COc1cccc(Cl)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.54
TACR1 P25103 2/20 0.44
AKT1 P31749 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL12266585 0.81 SCN4A (0.58) SCN4ATACR1AKT1
SCHEMBL2186001 0.79 SCN4A (0.47) SCN4A
SCHEMBL19668457 0.77 SCN4A (0.59) SCN4ATACR1AKT1GRIN2DGRIN3B
SCHEMBL2608832 0.75 BTK (0.49)
SCHEMBL8187210 0.74 KMT2A (0.42)
SCHEMBL29518247 0.71 GRM5 (0.46)
SCHEMBL229009 0.71 GRM5 (0.46)
SCHEMBL2396372 0.70 SCN4A (1.00) SCN4ATACR1
SCHEMBL15326792 0.70 SCN4A (1.00) SCN4ATACR1
SCHEMBL12847267 0.70 SCN4A (1.00) SCN4ATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed