SCHEMBL3812405

SCHEMBL3812405

CCCN(CCC)CCOCCc1ccc2sccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ CYP2A6 P11509 1/20 0.44
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EBP Q15125 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PMP22 Q01453 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
Oxalic Acid SCHEMBL3812890 0.93 SIGMAR1 (0.48) SIGMAR1CYP2A6
SCHEMBL3807907 0.91 SIGMAR1 (0.51) SIGMAR1CYP2A6CYP2D6KDM4E
SCHEMBL3817737 0.87 SIGMAR1 (0.53) SIGMAR1CYP2A6
SCHEMBL3816500 0.86 SIGMAR1 (0.56) SIGMAR1CYP2A6
Hydrochloric Acid SCHEMBL3818441 0.86 SIGMAR1 (0.52) SIGMAR1CYP2A6KDM4E
SCHEMBL3811794 0.86 SIGMAR1 (0.45) SIGMAR1CYP2A6KDM4E
SCHEMBL3810178 0.85 SIGMAR1 (0.49) SIGMAR1CYP2A6KDM4E
SCHEMBL3808291 0.85 SIGMAR1 (0.53) SIGMAR1CYP2A6
Hydrochloric Acid SCHEMBL3818244 0.85 SIGMAR1 (0.44) SIGMAR1CYP2A6KDM4E
SCHEMBL3812034 0.84 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
Send feedback