SCHEMBL3975348

SCHEMBL3975348

CS(=O)(=O)Nc1cccc(N2CCN(CCCC(N)=O)CC2)c1.O=C(O)C1=Cc2cc(F)ccc2SC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 11/20 0.46
HTR7 P34969 4/20 0.46
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL3975353 0.92 DRD2 (0.48) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3975351 0.85 DRD2 (0.61) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3197300 0.83 DRD2 (0.61) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3982331 0.80 HTR1A (0.51) DRD2HTR1AHTR7KCNH2HTR2A
SCHEMBL3981876 0.78 HTR1A (0.46) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3978487 0.78 DRD3 (0.64) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3982372 0.77 HTR7 (0.51) DRD3HTR1AHTR7
SCHEMBL3981781 0.77 DRD2 (0.50) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3974263 0.76 HTR2A (0.49) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL3974512 0.74 MAPT (0.42) DRD2HTR1AHTR7HTR2A

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 claimed
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 claimed