SCHEMBL11276891

SCHEMBL11276891

Clc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.66
DRD2 P14416 5/20 0.65
DRD3 P35462 4/20 0.65
HTR1A P08908 4/20 0.65
HTR2A P28223 4/20 0.65
DRD1 P21728 1/20 0.65
DRD5 P21918 1/20 0.65
TMEM97 Q5BJF2 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
HRH3 Q9Y5N1 8/20 0.63
HRH1 P35367 5/20 0.63
HRH2 P25021 1/20 0.58
SLC2A1 P11166 1/20 0.55
DRD4 P21917 1/20 0.55
ADRA1A P35348 4/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1B P35368 3/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL11285664 0.96 HTR7 (0.65) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL11265804 0.88 ADRA1A (0.68) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL11269168 0.88 ADRA1D (0.68) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL11219235 0.88 HRH1 (0.80) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL11282280 0.87 ADRA1D (0.70) HTR7DRD2DRD3HRH3HRH1
SCHEMBL11274382 0.87 DRD2 (0.62) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL11271331 0.87 HRH3 (0.61) DRD2DRD3HTR1AHTR2ATMEM97
Hydrochloric Acid SCHEMBL11273968 0.87 HRH1 (0.78) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL11282931 0.86 HRH3 (0.67) HRH3HRH1HRH2
SCHEMBL11268707 0.85 SLC6A4 (0.65) HTR7DRD2DRD3DRD1HRH3

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