SCHEMBL9039322

SCHEMBL9039322

Cc1cc2c(s1)SCC(=O)N(CCCCN1CCN(c3ncccn3)CC1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.56
DRD2 P14416 6/20 0.52
HTR2A P28223 6/20 0.52
HTR7 P34969 5/20 0.48
HTR6 P50406 4/20 0.48
ALDH1A1 P00352 3/20 0.48
DRD3 P35462 3/20 0.48
ABCB11 O95342 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
DRD4 P21917 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC22A2 O15244 1/20 0.47
CYP3A4 P08684 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
SCHEMBL9040565 0.89 HTR1A (0.58) HTR1ADRD2HTR2ACYP1A2CYP2C9
SCHEMBL9039623 0.83 DRD3 (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9038643 0.83 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9039547 0.80 HTR1A (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11167482 0.78 HTR1A (0.62) HTR1ADRD2HTR2AHTR7ALDH1A1
Oxalic Acid SCHEMBL9038590 0.78 DRD3 (0.48) HTR1ADRD2HTR2AHTR7HTR6
Fumaric Acid SCHEMBL9038032 0.77 DRD3 (0.48) HTR1ADRD2HTR2AHTR7HTR6
Fumaric Acid SCHEMBL9038033 0.77 DRD3 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11168473 0.76 HTR1A (0.58) HTR1ADRD2HTR2AHTR7ALDH1A1
SCHEMBL9668307 0.74 HTR1A (0.42) HTR1ADRD2HTR2AHTR7HTR6

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