SCHEMBL11065044

SCHEMBL11065044

O=C1CCc2c(cccc2OCCCN2CCC(Cc3ccccc3)CC2)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
DRD4 P21917 2/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACHE P22303 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ADRB1 P08588 1/20 0.48
CHRM5 P08912 1/20 0.48

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
Hydrochloric Acid SCHEMBL11067443 0.99 MAOA (0.60) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11065083 0.97 MAOA (0.65) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11073307 0.95 MAOA (0.57) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11063504 0.90 KCNH2 (0.50) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11070939 0.89 MAOA (0.52) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11073435 0.86 HTR7 (0.48) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL10576436 0.85 MAOA (0.63) MAOAMAOBDRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL11070539 0.85 HTR7 (0.47) MAOAMAOBDRD4SIGMAR1HRH3
SCHEMBL11071104 0.84 MAOA (0.61) MAOAMAOBDRD4MEN1KMT2A
SCHEMBL11073566 0.83 MAOA (0.54) MAOAMAOBDRD4MEN1KMT2A

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