SCHEMBL3817518

SCHEMBL3817518

COc1ccc(CN(C)CCOCCc2ccc3sccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ PYCR1 P32322 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
Oxalic Acid SCHEMBL3813189 0.94 SIGMAR1 (0.44) SIGMAR1TSHRACHEBCHEKDM4E
SCHEMBL3812050 0.88 SIGMAR1 (0.47) SIGMAR1TSHRCYP2A6ACHEKDM4E
SCHEMBL3812877 0.87 SIGMAR1 (0.46) SIGMAR1TSHRCYP2A6PYCR1KDM4E
SCHEMBL3817429 0.84 SIGMAR1 (0.49) SIGMAR1CYP2A6KCNH2PDE10ACA12
Oxalic Acid SCHEMBL3813466 0.84 KDM4E (0.48) SIGMAR1KDM4ESMN1; SMN2
SCHEMBL3812034 0.83 SIGMAR1 (0.50) SIGMAR1CYP2A6KCNH2PDE10ACA12
SCHEMBL3807994 0.83 KCNH2 (0.47) SIGMAR1CYP2A6PYCR1ACHEKCNH2
SCHEMBL3828050 0.82 SIGMAR1 (0.49) SIGMAR1CYP2A6KCNH2PDE10ACA12
SCHEMBL3810261 0.82 SIGMAR1 (0.49) SIGMAR1CYP2A6KCNH2PDE10ACA12
Oxalic Acid SCHEMBL3811672 0.82 SIGMAR1 (0.45) SIGMAR1KDM4E

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
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 — — EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 — — US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 — — EP disclosed
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