SCHEMBL8229491

SCHEMBL8229491

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3cccc(Cl)c3Cl)CC1)CO2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.67
DRD4 P21917 12/20 0.67
DRD3 P35462 11/20 0.57
SIGMAR1 Q99720 2/20 0.56
ADRA1A P35348 2/20 0.56
HTR1A P08908 2/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR2A P28223 3/20 0.55
FAAH O00519 2/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL13484910 0.94 DRD2 (0.67) DRD2DRD4DRD3SIGMAR1ADRA1A
SCHEMBL13484896 0.90 DRD3 (0.58) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL3976609 0.90 DRD3 (0.60) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL3981534 0.89 MEN1 (0.58) DRD2DRD4DRD3
SCHEMBL13484925 0.89 DRD3 (0.66) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL8233390 0.88 DRD2 (0.65) DRD2DRD4DRD3SIGMAR1ADRA1A
SCHEMBL8229460 0.87 DRD2 (0.55) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL8231863 0.87 DRD3 (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL3980521 0.87 DRD3 (0.66) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL13484916 0.87 HTR1A (0.60) DRD2DRD4DRD3ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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