SCHEMBL11266147

SCHEMBL11266147

Fc1ccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR1A P08908 6/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 4/20 0.52
HTR2A P28223 4/20 0.52
HRH1 P35367 2/20 0.52
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
ABCB1 P08183 4/20 0.52
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
HRH3 Q9Y5N1 4/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL11273977 0.97 HTR1A (0.56) SLC6A2SLC6A4HTR1ADRD2DRD3
SCHEMBL11270870 0.91 HTR1A (0.59) HTR1ADRD2DRD3HTR2AHRH1
SCHEMBL11270602 0.90 HTR1A (0.54) HTR1ADRD2DRD3HTR2AHRH1
SCHEMBL11262308 0.89 SLC6A2 (0.56) SLC6A2SLC6A4HTR1ADRD2DRD3
SCHEMBL11266474 0.88 DRD3 (0.56) HTR1ADRD2DRD3HTR2AABCB1
SCHEMBL11279326 0.87 HTR1A (0.63) HTR1ADRD2DRD3HTR2AHRH1
SCHEMBL11275248 0.87 HTR1A (0.50) HTR1ADRD2DRD3HTR2AHRH1
SCHEMBL11273095 0.86 DRD2 (0.58) HTR1ADRD2DRD3HTR2AHRH1
SCHEMBL11279021 0.86 S1PR5 (0.55) SLC6A2SLC6A4HTR1ADRD2DRD3
SCHEMBL11809668 0.85 HTR1A (0.63) HTR1ADRD2DRD3HTR2AHRH1

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