SCHEMBL3975353

SCHEMBL3975353

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1A P08908 12/20 0.47
HTR7 P34969 4/20 0.46
KCNH2 Q12809 4/20 0.40
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL3975348 0.92 DRD2 (0.46) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3975351 0.87 DRD2 (0.61) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3197315 0.81 HTR1A (0.66) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3982337 0.80 KCNH2 (0.53) DRD2HTR1AHTR7KCNH2SIGMAR1
SCHEMBL3978487 0.79 DRD3 (0.64) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3982931 0.78 HTR1A (0.47) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3973177 0.77 KCNH2 (0.48) DRD2DRD3HTR1AKCNH2
SCHEMBL3982377 0.77 HTR7 (0.51) DRD3HTR1AHTR7
SCHEMBL3981786 0.77 SIGMAR1 (0.52) DRD2ADRA1ADRD3HTR1AHTR7
SCHEMBL3974266 0.76 HTR2A (0.49) DRD2DRD3HTR1AHTR7KCNH2

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