SCHEMBL11070939

SCHEMBL11070939

O=C1CCc2c(cccc2OCN2CCC(Cc3ccccc3)CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
GRIN1 Q05586 2/20 0.46
SIGMAR1 Q99720 3/20 0.44
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 1/20 0.43
HTT P42858 1/20 0.43
CCR3 P51677 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TMEM97 Q5BJF2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11073307 0.90 MAOA (0.57) MAOAMAOBSIGMAR1HTR1ADRD4
SCHEMBL11065044 0.89 MAOA (0.61) MAOAMAOBSIGMAR1DRD4MEN1
Hydrochloric Acid SCHEMBL11067443 0.88 MAOA (0.60) MAOAMAOBSIGMAR1DRD4MEN1
SCHEMBL11065083 0.88 MAOA (0.65) MAOAMAOBSIGMAR1DRD4MEN1
SCHEMBL11071304 0.85 DRD4 (0.62) MAOAMAOBGRIN1HTR1ADRD4
SCHEMBL11072939 0.85 DRD4 (0.62) DRD4SCN1ASCN5ASCN9AMEN1
SCHEMBL11063504 0.79 KCNH2 (0.50) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11070311 0.77 ADRB2 (0.44) HTR1ADRD4SCN1ASCN5ASCN9A
SCHEMBL18050048 0.76 BRD4 (0.55) MAOAMAOBHTR1ADRD4MEN1
Iodide SCHEMBL11068714 0.76 DRD4 (0.42) MAOAMAOBHTR1ADRD4MEN1

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