SCHEMBL8545797

SCHEMBL8545797

Fc1ccc(C(CCCN2CCN(C3CCc4cccc5ncn3c45)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.42
DRD3 P35462 8/20 0.41
HTR2A P28223 6/20 0.41
ADRA1A P35348 6/20 0.41
HRH1 P35367 6/20 0.41
OPRK1 P41145 6/20 0.41
SLC6A3 Q01959 6/20 0.41
OPRD1 P41143 5/20 0.41
OPRM1 P35372 5/20 0.41
HTR6 P50406 5/20 0.41
CACNA1C Q13936 5/20 0.41
CACNA1F O60840 4/20 0.41
DRD4 P21917 4/20 0.41
HRH2 P25021 4/20 0.41
CACNA1D Q01668 4/20 0.41
CACNA1S Q13698 4/20 0.41
HTR2C P28335 4/20 0.41
DRD5 P21918 3/20 0.41
ADRA1D P25100 3/20 0.41
HTR7 P34969 3/20 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
SCHEMBL904830 0.73 DRD2 (0.60) SLC6A9DRD3HTR2AADRA1AHRH1
SCHEMBL904828 0.70 DRD3 (0.54) SLC6A9DRD3HTR2AADRA1AHRH1
SCHEMBL8545794 0.70 SCN5A (0.43) SLC6A9DRD3HTR2AADRA1AHRH1
SCHEMBL904826 0.68 HTR2A (0.58) DRD3HTR2AADRA1AHRH1OPRK1
SCHEMBL904847 0.67 HTR2A (0.54) DRD3HTR2AADRA1AHRH1OPRK1
Hydrochloric Acid SCHEMBL9603075 0.65 SLC6A2 (0.64) DRD3HTR2AHRH1SLC6A3DRD4
SCHEMBL7295696 0.65 SCN5A (0.58) DRD3HTR2AADRA1AHRH1OPRK1
SCHEMBL28876807 0.65 CYP3A4 (0.64) SLC6A9DRD3HTR2AADRA1AHRH1
SCHEMBL10334811 0.65 SCN5A (0.58) DRD3HTR2AADRA1AHRH1OPRK1
SCHEMBL10362364 0.65 HTR2A (0.61) DRD3HTR2AADRA1AHRH1OPRK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700913-B1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP claimed
US-5500423-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-19 US claimed
EP-0700913-B1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP disclosed
EP-0719774-B1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS (JP) 1998-06-03 EP disclosed
EP-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 EP disclosed