SCHEMBL9718783

SCHEMBL9718783

O=C(O)CCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.64
DRD2 P14416 5/20 0.55
HTR1A P08908 4/20 0.55
DRD3 P35462 3/20 0.55
HTR2A P28223 3/20 0.55
HTR6 P50406 3/20 0.55
CYP1A2 P05177 2/20 0.55
SLC6A4 P31645 2/20 0.55
HTR7 P34969 2/20 0.55
HRH1 P35367 2/20 0.55
HTR2B P41595 2/20 0.55
ABCB11 O95342 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55

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 SCHEMBL9718733 0.99 SETD7 (0.63) SETD7DRD2HTR1ADRD3HTR2A
SCHEMBL9718842 0.96 SETD7 (0.67) SETD7DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL9718711 0.95 SETD7 (0.65) SETD7DRD2HTR1ADRD3HTR2A
SCHEMBL9718779 0.95 SETD7 (0.69) SETD7DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL9718820 0.94 SETD7 (0.67) SETD7DRD2HTR1ADRD3HTR2A
SCHEMBL9718762 0.92 SETD7 (0.61) SETD7DRD2HTR1ADRD3HTR2A
SCHEMBL11601095 0.88 SETD7 (0.67) SETD7DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL9034034 0.88 SETD7 (0.59) SETD7DRD2HTR1ADRD3HTR2A
SCHEMBL9718729 0.85 SETD7 (0.55) SETD7DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL9718758 0.84 SETD7 (0.54) SETD7DRD2HTR1ADRD3HTR2A

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