SCHEMBL3976216

SCHEMBL3976216

COc1ccc2c(c1)OCC(C(=O)NCCCCN1CCN(c3cccc(OC(=O)C4=Cc5ccc(OC)cc5OC4)c3)CC1)=C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.55
HTR1A P08908 8/20 0.55
HTR2A P28223 8/20 0.55
DRD2 P14416 7/20 0.55
HTR2C P28335 6/20 0.55
HRH1 P35367 1/20 0.52
DRD4 P21917 5/20 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
SCHEMBL13484913 0.91 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3977165 0.91 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL8231863 0.89 DRD3 (0.60) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL8223541 0.89 DRD3 (0.62) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3975358 0.88 DRD3 (0.54) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484907 0.86 DRD3 (0.49) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484903 0.85 DRD3 (0.59) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484920 0.84 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3977379 0.84 DRD3 (0.56) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484918 0.84 DRD3 (0.55) 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 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