SCHEMBL11063504

SCHEMBL11063504

O=C1CCc2c(cccc2OCCCN2CCC(CCc3ccccc3)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11065044 0.90 MAOA (0.61) MAOAMAOBDRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11067443 0.89 MAOA (0.60) MAOAMAOBDRD4HRH3MEN1
SCHEMBL11065083 0.87 MAOA (0.65) KCNH2MAOAMAOBDRD4HRH3
SCHEMBL11073307 0.85 MAOA (0.57) MAOAMAOBDRD4DRD2DRD3
SCHEMBL11073435 0.84 HTR7 (0.48) MAOAMAOBDRD4DRD2DRD3
SCHEMBL10576436 0.84 MAOA (0.63) MAOAMAOBDRD4DRD2DRD3
SCHEMBL11073911 0.83 SCN1A (0.60) KCNH2DRD4DRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL11070539 0.83 HTR7 (0.47) MAOAMAOBDRD4DRD2DRD3
SCHEMBL6108202 0.80 MAOA (0.58) MAOAMAOBHRH3
SCHEMBL11073580 0.80 MAOA (0.77) MAOAMAOBDRD2

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