SCHEMBL9039623

SCHEMBL9039623

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.54
DRD2 P14416 8/20 0.53
DRD1 P21728 2/20 0.53
HTR1A P08908 7/20 0.49
HTR2A P28223 4/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 3/20 0.46
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
Oxalic Acid SCHEMBL9038590 0.94 DRD3 (0.48) DRD3DRD2DRD1HTR1AHTR2A
Fumaric Acid SCHEMBL9038033 0.93 DRD3 (0.48) DRD3DRD2DRD1HTR1AHTR2A
Fumaric Acid SCHEMBL9038032 0.93 DRD3 (0.48) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9038296 0.89 DRD3 (0.55) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9038835 0.88 DRD3 (0.53) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9039129 0.86 DRD3 (0.51) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9039322 0.83 HTR1A (0.56) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9038573 0.82 DRD3 (0.63) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9038713 0.81 DRD3 (0.59) DRD3DRD2DRD1HTR1AHTR2A
SCHEMBL9668307 0.81 HTR1A (0.42) DRD3DRD2HTR1AHTR2AHTR7

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