SCHEMBL5207889

SCHEMBL5207889

O=[C]NCCOc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 4/20 0.53
NPC1 O15118 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 1/20 0.44
ALDH3A1 P30838 1/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3848563 0.81 DRD4 (0.57) DRD4DRD2DRD3NPC1TAAR1
SCHEMBL9554727 0.79 MMP3 (0.51) DRD4DRD2DRD3NPC1RAB9A
SCHEMBL6673795 0.76 DRD4 (0.60) DRD4DRD2DRD3NPC1RAB9A
SCHEMBL1345118 0.75 MAOB (0.57) DRD4DRD2DRD3NPC1RAB9A
SCHEMBL2472084 0.75 HTR1B (0.64) DRD4DRD2DRD3NPC1TAAR1
SCHEMBL5536815 0.75 ALDH3A1 (0.47) DRD4DRD2DRD3NPC1RAB9A
SCHEMBL5073531 0.74 DRD4 (0.57) DRD4DRD2DRD3NPC1TAAR1
SCHEMBL6849549 0.73 HTR1B (0.66) DRD4DRD2DRD3NPC1TAAR1
Hydrochloric Acid SCHEMBL21595631 0.73 HTR1B (0.62) DRD4DRD2DRD3NPC1TAAR1
SCHEMBL5540013 0.73 ALDH3A1 (0.50) DRD4DRD2DRD3RAB9AALDH3A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708994-B1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-08-08 EP disclosed