SCHEMBL9718787

SCHEMBL9718787

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.57
HRH1 P35367 3/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR6 P50406 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 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
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
TSHR P16473 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 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
Fumaric Acid SCHEMBL9718755 0.94 SETD7 (0.51) SETD7HRH1HTR1ADRD2HTR2A
Fumaric Acid SCHEMBL9718752 0.94 SETD7 (0.51) SETD7HRH1HTR1ADRD2HTR2A
SCHEMBL9718730 0.87 SETD7 (0.51) SETD7HRH1HTR1ADRD2HTR2A
SCHEMBL9718753 0.87 SETD7 (0.57) SETD7HRH1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9718774 0.86 SETD7 (0.56) SETD7HRH1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9718822 0.83 SETD7 (0.65) SETD7HRH1HTR1ADRD2HTR2A
SCHEMBL9718757 0.81 KCNH2 (0.49) SETD7HRH1ALDH1A1TP53TSHR
SCHEMBL4514999 0.80 SETD7 (0.58) SETD7HRH1HTR1ADRD2HTR2A
SCHEMBL9718762 0.78 SETD7 (0.61) SETD7HRH1HTR1ADRD2HTR2A
SCHEMBL9718794 0.77 SETD7 (0.63) SETD7HRH1HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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