SCHEMBL11273088

SCHEMBL11273088

FC(F)(F)c1ccc(N2CCN(CCCOc3cc4c(cc3Cl)CCC4)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 2/20 0.52
DRD2 P14416 7/20 0.47
HTR1A P08908 7/20 0.47
HTR2A P28223 6/20 0.47
DRD3 P35462 5/20 0.47
HRH3 Q9Y5N1 2/20 0.45
DRD1 P21728 2/20 0.45
DRD5 P21918 1/20 0.45
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HRH1 P35367 1/20 0.44
HTR7 P34969 3/20 0.43
DRD4 P21917 1/20 0.43
ADRA1A P35348 1/20 0.41

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
SCHEMBL11274363 0.88 DRD2 (0.59) SLC6A4SLC6A2DRD2HTR1AHTR2A
SCHEMBL11271731 0.87 SLC6A4 (0.52) SLC6A4SLC6A2DRD2HTR1AHTR2A
SCHEMBL11299358 0.86 HTR7 (0.59) DRD2DRD3DRD1SIGMAR1HTR7
SCHEMBL11270104 0.85 HTR1A (0.56) DRD2HTR1AHTR2ADRD3HRH3
SCHEMBL11307110 0.85 SLC6A4 (0.57) SLC6A4SLC6A2DRD2HTR1AHTR2A
SCHEMBL11268707 0.83 SLC6A4 (0.65) SLC6A4SLC6A2DRD2DRD3HRH3
SCHEMBL11279021 0.81 S1PR5 (0.55) SLC6A4SLC6A2DRD2HTR1AHTR2A
SCHEMBL11275227 0.81 KCNH2 (0.60) SLC6A4SLC6A2DRD2DRD3SIGMAR1
SCHEMBL11278314 0.80 SLC6A4 (0.70) SLC6A4SLC6A2DRD2DRD3HRH3
SCHEMBL11290067 0.79 HTR1A (0.59) SLC6A4SLC6A2DRD2HTR1AHTR2A

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