SCHEMBL11262385

SCHEMBL11262385

FC(F)(F)c1ccccc1N1CCN(CCCOc2cccc3c2CCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.51
HTR2A P28223 8/20 0.49
DRD2 P14416 6/20 0.49
HTR1A P08908 5/20 0.49
FAAH O00519 2/20 0.48
DRD3 P35462 2/20 0.48
HRH3 Q9Y5N1 4/20 0.47
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL11270204 0.97 DRD2 (0.53) HTR7HTR2ADRD2HTR1AFAAH
SCHEMBL11272267 0.86 HTR2A (0.50) HTR7HTR2ADRD2HTR1ADRD3
SCHEMBL11273380 0.85 FAAH (0.56) HTR7HTR2ADRD2HTR1AFAAH
SCHEMBL11269670 0.84 HTR2A (0.55) HTR7HTR2ADRD2HTR1AFAAH
SCHEMBL11277272 0.84 HTR2A (0.67) HTR7HTR2ADRD2HTR1ADRD3
SCHEMBL11815257 0.83 FAAH (0.59) HTR7HTR2ADRD2HTR1AFAAH
SCHEMBL11811329 0.83 HTR2A (0.58) HTR7HTR2ADRD2HTR1AFAAH
SCHEMBL11279021 0.82 S1PR5 (0.55) HTR7HTR2ADRD2HTR1ADRD3
SCHEMBL11808685 0.82 HTR2A (0.67) HTR7HTR2ADRD2HTR1ADRD3
Hydrochloric Acid SCHEMBL11821341 0.82 HTR2A (0.59) HTR7HTR2ADRD2HTR1AFAAH

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-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