SCHEMBL3978487

SCHEMBL3978487

CS(=O)(=O)Nc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4SC3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.64
DRD2 P14416 6/20 0.64
ADRA1A P35348 4/20 0.64
HTR1A P08908 12/20 0.55
HTR7 P34969 1/20 0.47
KCNH2 Q12809 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45
DRD4 P21917 1/20 0.44

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
SCHEMBL3975351 0.93 DRD2 (0.61) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3978297 0.89 HTR1A (0.55) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3976554 0.87 DRD3 (0.58) DRD3DRD2ADRA1AHTR1AKCNH2
SCHEMBL3983538 0.86 DRD2 (0.59) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3982327 0.86 DRD3 (0.60) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3984452 0.85 DRD3 (0.62) DRD3DRD2HTR1AKCNH2HTR2A
SCHEMBL3978343 0.84 DRD3 (0.52) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL8230558 0.84 DRD3 (0.48) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3976413 0.84 DRD3 (0.64) DRD3DRD2ADRA1AHTR1AHTR7
SCHEMBL3982374 0.84 DRD3 (0.52) DRD3DRD2ADRA1AHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO disclosed