SCHEMBL3810177

SCHEMBL3810177

CN(CCCO)CCOCCc1ccc2sccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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 SCHEMBL3808414 0.94 SIGMAR1 (0.48) SIGMAR1CYP2A6OPRM1OPRK1KDM4E
SCHEMBL3807910 0.93 SIGMAR1 (0.51) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
SCHEMBL27091 0.91 SIGMAR1 (0.55) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
SCHEMBL3811870 0.88 SIGMAR1 (0.53) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
Oxalic Acid SCHEMBL3807582 0.87 SIGMAR1 (0.48) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
SCHEMBL3828050 0.86 SIGMAR1 (0.49) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
SCHEMBL3817429 0.86 SIGMAR1 (0.49) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
Oxalic Acid SCHEMBL3807802 0.85 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1KDM4E
Hydrochloric Acid SCHEMBL3816153 0.85 SIGMAR1 (0.48) SIGMAR1CYP2A6ALDH1A1OPRM1OPRK1
SCHEMBL3812034 0.85 SIGMAR1 (0.50) SIGMAR1CYP2A6OPRM1OPRK1PDE10A

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