SCHEMBL11265017

SCHEMBL11265017

FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3c(c2)CCC3)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.69
HTR1A P08908 5/20 0.52
HTR2A P28223 5/20 0.52
KCNH2 Q12809 3/20 0.52
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD3 P35462 4/20 0.49
FAAH O00519 1/20 0.49
DRD4 P21917 2/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL11275967 0.97 DRD2 (0.65) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11275908 0.86 DRD2 (0.67) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11266439 0.85 DRD2 (0.67) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11275993 0.83 LMNA (0.67) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11267243 0.81 DRD2 (0.62) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11266451 0.81 HRH1 (0.74) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11278314 0.81 SLC6A4 (0.70) DRD2SLC6A2SLC6A4HRH1HRH3
SCHEMBL251586 0.81 DRD2 (0.93) DRD2HTR1AHTR2AKCNH2SLC6A2
SCHEMBL11285131 0.80 DRD2 (0.69) DRD2HTR2ASLC6A2SLC6A4HRH1
SCHEMBL11270204 0.80 DRD2 (0.53) DRD2HTR1AHTR2AALDH1A1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339580-A TRANQUILIZERS, SEDATIVES MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1982-07-13 US disclosed
EP-0021368-B1 PIPERAZINYLALKOXYINDANES AND ACID ADDITION SALTS THEREOF MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP disclosed
EP-0021368-A1 Piperazinylalkoxyindanes and acid addition salts thereof MITSUBISHI KASEI CORPORATION (JP) 1981-01-07 EP disclosed