SCHEMBL3817624

SCHEMBL3817624

CCN(CC)C(C)COCCc1ccc2sccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CYP2A6 P11509 2/20 0.42
PDE10A Q9Y233 1/20 0.34
CA12 O43570 4/20 0.34
CA2 P00918 4/20 0.34
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FFAR1 O14842 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL3807967 0.81 SIGMAR1 (0.45) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL3816500 0.78 SIGMAR1 (0.56) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL3807907 0.78 SIGMAR1 (0.51) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL3812034 0.77 SIGMAR1 (0.50) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL3809957 0.77 SIGMAR1 (0.56) SIGMAR1CYP2A6PDE10ACA12CA2
Oxalic Acid SCHEMBL3818223 0.77 SIGMAR1 (0.43) SIGMAR1CYP2A6CA12CA2OPRM1
SCHEMBL3816628 0.77 SIGMAR1 (0.47) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL3816113 0.76 SIGMAR1 (0.55) SIGMAR1CYP2A6PDE10ACA12CA2
Hydrochloric Acid SCHEMBL3815309 0.76 SIGMAR1 (0.55) SIGMAR1CYP2A6PDE10ACA12CA2
SCHEMBL52071 0.76 SIGMAR1 (0.60) SIGMAR1CYP2A6PDE10ACA12CA2

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