SCHEMBL9039670

SCHEMBL9039670

CC(=NO)c1cc2c(s1)CCCN(CCCCN1CCN(c3ncccn3)CC1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.57
DRD2 P14416 7/20 0.57
DRD1 P21728 4/20 0.57
HTR1A P08908 4/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 2/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9039637 1.00 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038557 0.91 DRD3 (0.59) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039114 0.87 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
Fumaric Acid SCHEMBL9038771 0.86 DRD3 (0.54) DRD3DRD2DRD1HTR1ADRD4
Maleic Acid SCHEMBL9038765 0.86 DRD3 (0.54) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038573 0.85 DRD3 (0.63) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9037898 0.84 DRD3 (0.64) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9039179 0.84 DRD3 (0.57) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9037766 0.83 DRD3 (0.61) DRD3DRD2DRD1HTR1ADRD4
SCHEMBL9038290 0.83 DRD3 (0.58) 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 3 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 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