SCHEMBL3816407

SCHEMBL3816407

CCN(CC)CCCCCOCCc1ccc2sccc2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.53
▸ CYP2A6 P11509 1/20 0.41
▸ BIRC5 O15392 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 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
Hydrochloric Acid SCHEMBL3817320 0.99 SIGMAR1 (0.52) SIGMAR1CYP2A6BIRC5BCHEACHE
SCHEMBL3816113 0.95 SIGMAR1 (0.55) SIGMAR1CYP2A6BIRC5
SCHEMBL3807907 0.90 SIGMAR1 (0.51) SIGMAR1CYP2A6BIRC5
Oxalic Acid SCHEMBL3817540 0.89 SIGMAR1 (0.52) SIGMAR1CYP2A6BIRC5BCHEACHE
SCHEMBL3815503 0.87 CYP2A6 (0.47) SIGMAR1CYP2A6BIRC5BCHE
SCHEMBL14492178 0.87 SIGMAR1 (0.53) SIGMAR1CYP2A6BIRC5BCHE
SCHEMBL52071 0.83 SIGMAR1 (0.60) SIGMAR1CYP2A6
SCHEMBL3811870 0.82 SIGMAR1 (0.53) SIGMAR1CYP2A6
SCHEMBL3810178 0.82 SIGMAR1 (0.49) SIGMAR1CYP2A6BIRC5
SCHEMBL3812405 0.81 SIGMAR1 (0.50) SIGMAR1CYP2A6

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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