SCHEMBL11063017

SCHEMBL11063017

O=C(ON1C(=O)CCc2ccc(OCCCN3CCC(Cc4ccccc4)CC3)cc21)C(=O)ON1C(=O)CCc2ccc(OCCCN3CCC(Cc4ccccc4)CC3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 1/20 0.58
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ADRB2 P07550 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
ADRB1 P08588 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
CHRM3 P20309 1/20 0.55
DRD4 P21917 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
BCHE P06276 1/20 0.53

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 SCHEMBL11064085 0.86 MAOB (0.60) MAOBMAOASLC6A2SLC6A4TMEM97
SCHEMBL11071115 0.86 ADRB2 (0.63) MAOBMAOASLC6A2SLC6A4ADRB2
SCHEMBL11070228 0.86 MAOB (0.62) MAOBMAOASLC6A2SLC6A4TMEM97
SCHEMBL11071523 0.82 CHRM2 (0.65) MAOBMAOASLC6A2SLC6A4SIGMAR1
SCHEMBL11068680 0.81 ADRB2 (0.59) MAOBMAOASLC6A2SLC6A4TMEM97
SCHEMBL11068257 0.81 ADRB2 (0.59) MAOBMAOASLC6A2SLC6A4TMEM97
SCHEMBL11064029 0.81 CHRM1 (0.63) MAOBMAOASLC6A2SLC6A4ADRB2
SCHEMBL11063070 0.79 MAOB (0.55) MAOBMAOASLC6A2SLC6A4TMEM97
Oxalic Acid SCHEMBL11062992 0.78 MAOA (0.86) MAOBMAOADRD2DRD4DRD3
SCHEMBL11070336 0.77 MAOA (0.93) MAOBMAOASLC6A2SLC6A4DRD2

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
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed