SCHEMBL9718779

SCHEMBL9718779

O=C(O)CCCCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.69
HTR1A P08908 6/20 0.52
DRD2 P14416 4/20 0.52
DRD3 P35462 2/20 0.52
HTR7 P34969 2/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
DRD1 P21728 1/20 0.52

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 SCHEMBL9718820 0.99 SETD7 (0.67) SETD7HTR1ADRD2DRD3HTR7
SCHEMBL9718842 0.99 SETD7 (0.67) SETD7HTR1ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL9718711 0.97 SETD7 (0.65) SETD7HTR1ADRD2DRD3HTR7
SCHEMBL9718783 0.95 SETD7 (0.64) SETD7HTR1ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL9718733 0.94 SETD7 (0.63) SETD7HTR1ADRD2DRD3HTR7
SCHEMBL9718762 0.90 SETD7 (0.61) SETD7HTR1ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL7211736 0.87 SETD7 (0.61) SETD7HTR1ADRD2DRD3HTR7
SCHEMBL9718806 0.86 SETD7 (0.52) SETD7HTR1ADRD2DRD3CYP2D6
Hydrochloric Acid SCHEMBL9718721 0.85 SETD7 (0.51) SETD7HTR1ADRD2DRD3CYP2D6
Hydrochloric Acid SCHEMBL9718822 0.85 SETD7 (0.65) SETD7HTR1ADRD2DRD3HTR7

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