SCHEMBL9718753

SCHEMBL9718753

O=C(O)COCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.57
HRH1 P35367 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SLC6A2 P23975 2/20 0.51
HRH2 P25021 2/20 0.51
HTR2A P28223 2/20 0.51
SLC6A4 P31645 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
ABCB11 O95342 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51

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 SCHEMBL9718774 0.99 SETD7 (0.56) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9718787 0.87 SETD7 (0.57) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9718818 0.86 SETD7 (0.51) SETD7HRH1SLC6A2HRH2HTR2A
Fumaric Acid SCHEMBL9718752 0.84 SETD7 (0.51) SETD7HRH1ALDH1A1SLC6A2HRH2
Fumaric Acid SCHEMBL9718755 0.84 SETD7 (0.51) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9718783 0.84 SETD7 (0.64) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9718762 0.83 SETD7 (0.61) SETD7HRH1ALDH1A1SLC6A2HRH2
Hydrochloric Acid SCHEMBL9718733 0.82 SETD7 (0.63) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9034258 0.82 SETD7 (0.60) SETD7HRH1ALDH1A1SLC6A2HRH2
SCHEMBL9718842 0.82 SETD7 (0.67) SETD7HRH1ALDH1A1SLC6A2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US claimed
EP-0406739-A2 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-09 EP claimed
US-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0406739-A2 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-09 EP disclosed