SCHEMBL9282955

SCHEMBL9282955

COc1ccc2cccc(N3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.62
DRD2 P14416 7/20 0.58
HTR7 P34969 5/20 0.58
DRD3 P35462 5/20 0.58
HTR2A P28223 4/20 0.58
HTR6 P50406 4/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
DRD1 P21728 2/20 0.58
DRD4 P21917 2/20 0.58
SLC6A2 P23975 2/20 0.58
HRH2 P25021 2/20 0.58
HTR2C P28335 2/20 0.58
SLC6A4 P31645 2/20 0.58

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 SCHEMBL9640594 0.99 HTR1A (0.61) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL239612 0.84 HTR1A (0.59) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL9288025 0.81 HTR1A (0.73) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL9204835 0.81 HTR1A (0.59) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL9284653 0.81 HTR1A (0.62) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL9287039 0.81 HTR1A (0.62) HTR1ADRD2HTR7DRD3HTR2A
Hydrochloric Acid SCHEMBL9653570 0.80 HTR1A (0.72) HTR1ADRD2HTR7DRD3HTR2A
Hydrochloric Acid SCHEMBL9639755 0.80 HTR1A (0.61) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL9225727 0.79 HTR1A (0.63) HTR1ADRD2HTR7DRD3HTR2A
SCHEMBL8952479 0.78 HTR1A (0.51) HTR1ADRD2HTR7DRD3HTR2A

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
EP-0434561-B1 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-10-18 EP disclosed
EP-0434561-A2 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-06-26 EP disclosed