SCHEMBL9718808

SCHEMBL9718808

CCOC(=O)CCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.60
HRH1 P35367 4/20 0.53
SLC6A2 P23975 3/20 0.53
HRH2 P25021 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTR1A P08908 2/20 0.53
CHRM5 P08912 2/20 0.53
ADRA1D P25100 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CHRM1 P11229 2/20 0.53
ABCB11 O95342 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53

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 SCHEMBL9718722 0.99 SETD7 (0.59) SETD7HRH1SLC6A2HRH2ALDH1A1
SCHEMBL9718794 0.93 SETD7 (0.63) SETD7HRH1SLC6A2HRH2ALDH1A1
Hydrochloric Acid SCHEMBL9133954 0.92 SETD7 (0.62) SETD7HRH1SLC6A2HRH2ALDH1A1
Hydrochloric Acid SCHEMBL9718731 0.91 SETD7 (0.64) SETD7HRH1SLC6A2HRH2ALDH1A1
SCHEMBL9718763 0.88 SETD7 (0.63) SETD7HRH1SLC6A2HRH2ALDH1A1
SCHEMBL9718777 0.87 HRH1 (0.54) SETD7HRH1SLC6A2HRH2HTR1A
Hydrochloric Acid SCHEMBL9718778 0.86 HRH1 (0.53) SETD7HRH1SLC6A2HRH2HTR1A
SCHEMBL11602777 0.84 SETD7 (0.63) SETD7HRH1SLC6A2HRH2ALDH1A1
SCHEMBL9718762 0.82 SETD7 (0.61) SETD7HRH1SLC6A2HRH2ALDH1A1
SCHEMBL8218752 0.81 SETD7 (0.59) SETD7HRH1SLC6A2HRH2ALDH1A1

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