SCHEMBL11270602

SCHEMBL11270602

Clc1ccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.54
DRD2 P14416 9/20 0.54
DRD3 P35462 9/20 0.54
HTR2A P28223 6/20 0.54
SIGMAR1 Q99720 5/20 0.54
TMEM97 Q5BJF2 4/20 0.54
DRD4 P21917 2/20 0.52
DRD5 P21918 4/20 0.52
DRD1 P21728 2/20 0.52
HRH1 P35367 2/20 0.51
HTR7 P34969 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
HTR2C P28335 1/20 0.47
FAAH O00519 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
SCHEMBL11273095 0.97 DRD2 (0.58) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11811688 0.94 DRD2 (0.58) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11266147 0.90 SLC6A2 (0.55) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11270870 0.90 HTR1A (0.59) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11275580 0.89 KCNH2 (0.60) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11266474 0.87 DRD3 (0.56) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL11273977 0.86 HTR1A (0.56) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11279326 0.86 HTR1A (0.63) HTR1ADRD2DRD3HTR2ASIGMAR1
SCHEMBL11262308 0.86 SLC6A2 (0.56) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL11276199 0.86 KCNH2 (0.58) HTR1ADRD2DRD3HTR2ASIGMAR1

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