SCHEMBL3817651

SCHEMBL3817651

c1ccc(CN(CCOCCc2ccc3sccc3c2)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.51
▸ SLC6A2 P23975 4/20 0.47
▸ SLC6A4 P31645 4/20 0.47
▸ SLC6A3 Q01959 4/20 0.47
▸ GRIN2B Q13224 4/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3812313 0.85 SIGMAR1 (0.54) SIGMAR1SLC6A2SLC6A4SLC6A3GRIN2B
SCHEMBL3812050 0.82 SIGMAR1 (0.47) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL3810188 0.81 SIGMAR1 (0.56) SIGMAR1SLC6A2SLC6A4SLC6A3GRIN2B
Hydrochloric Acid SCHEMBL3808199 0.80 SIGMAR1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3GRIN2B
SCHEMBL3813063 0.79 SIGMAR1 (0.47) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2A6
Oxalic Acid SCHEMBL3813466 0.77 KDM4E (0.48) SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL3815464 0.77 SIGMAR1 (0.43) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL10368304 0.76 SIGMAR1 (0.51) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2A6
Oxalic Acid SCHEMBL3816423 0.76 SIGMAR1 (0.45) SIGMAR1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL3808291 0.75 SIGMAR1 (0.53) SIGMAR1SLC6A4SLC6A3CYP2A6KMT2A

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