SCHEMBL3973175

SCHEMBL3973175

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3cccc(O)c3)CC1)CS2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.55
HTR1A P08908 8/20 0.55
HTR2A P28223 8/20 0.55
DRD2 P14416 8/20 0.55
HTR2C P28335 6/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.52
DRD4 P21917 4/20 0.51
KCNH2 Q12809 2/20 0.48

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
SCHEMBL3984452 0.89 DRD3 (0.62) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3974264 0.89 DRD3 (0.57) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3982327 0.88 DRD3 (0.60) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484957 0.87 DRD2 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3973177 0.85 KCNH2 (0.48) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484918 0.85 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL8231965 0.84 DRD4 (0.57) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3976402 0.84 DRD2 (0.56) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3977165 0.83 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3982334 0.83 DRD2 (0.59) DRD3HTR1AHTR2ADRD2HTR2C

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 4 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
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