SCHEMBL9038573

SCHEMBL9038573

Cc1cc2c(s1)CCCN(CCCCN1CCN(c3ncccn3)CC1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.63
DRD2 P14416 8/20 0.63
DRD1 P21728 4/20 0.63
HTR1A P08908 5/20 0.50
DRD4 P21917 2/20 0.50
HTR2A P28223 3/20 0.45
ABCB11 O95342 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1D P25100 2/20 0.44
HTR7 P34969 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.44
SLC22A2 O15244 1/20 0.43

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
Hydrochloric Acid SCHEMBL9039040 0.97 DRD3 (0.62) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038363 0.94 DRD2 (0.54) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9037898 0.89 DRD3 (0.64) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9037766 0.88 DRD3 (0.61) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038557 0.86 DRD3 (0.59) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038290 0.85 DRD3 (0.58) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039637 0.85 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039179 0.85 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039114 0.85 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039670 0.85 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP claimed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP claimed
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP disclosed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed