SCHEMBL11277199

SCHEMBL11277199

Fc1ccc(N2CCN(CCCCOc3cc4c(cc3F)CCC4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
DRD2 P14416 5/20 0.51
HTR1A P08908 4/20 0.51
HTR2A P28223 4/20 0.51
DRD3 P35462 4/20 0.51
DRD1 P21728 2/20 0.51
DRD5 P21918 2/20 0.51
ABCB1 P08183 4/20 0.50
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HRH1 P35367 2/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL11273882 0.96 DRD2 (0.55) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11279327 0.91 HTR1A (0.53) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11307110 0.89 SLC6A4 (0.57) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11290067 0.87 HTR1A (0.59) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11270622 0.87 DRD3 (0.57) DRD2HTR1AHTR2ADRD3TMEM97
Hydrochloric Acid SCHEMBL11284442 0.86 HTR1A (0.56) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL11273822 0.85 DRD2 (0.53) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11274363 0.85 DRD2 (0.59) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11263300 0.85 DRD2 (0.53) SLC6A2SLC6A4DRD2HTR1AHTR2A
SCHEMBL11266112 0.85 ABCB1 (0.55) SLC6A2SLC6A4DRD2HTR1AHTR2A

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