SCHEMBL3812975

SCHEMBL3812975

CN(C)CCOCCc1ccc2occc(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.50
MAOB P27338 12/20 0.50
SIGMAR1 Q99720 6/20 0.48
ACHE P22303 1/20 0.40
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3818357 0.88 SIGMAR1 (0.65) MAOAMAOBSIGMAR1ACHEHTR1A
Hydrochloric Acid SCHEMBL3812840 0.86 SIGMAR1 (0.63) MAOAMAOBSIGMAR1ACHEHTR1A
SCHEMBL3818271 0.81 HTR1B (0.43)
Oxalic Acid SCHEMBL3812294 0.78 KDM4E (0.42)
SCHEMBL8773399 0.76 MAOA (0.52) MAOAMAOBSIGMAR1ACHEHTR1A
SCHEMBL12043924 0.73 MAOA (0.55) MAOAMAOBSIGMAR1ACHE
SCHEMBL27767743 0.69 SIGMAR1 (0.61) MAOAMAOBSIGMAR1ACHE
SCHEMBL3808206 0.68 SIGMAR1 (0.44) SIGMAR1
SCHEMBL3815395 0.68 ALDH1A1 (0.41) SIGMAR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL3812837 0.67 KMT2A (0.34)

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