SCHEMBL8229083

SCHEMBL8229083

COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.63
DRD3 P35462 12/20 0.63
DRD4 P21917 7/20 0.62
ADRA1A P35348 5/20 0.60
ADRA1D P25100 4/20 0.59
ADRA1B P35368 4/20 0.59
HTR1A P08908 3/20 0.59
DRD1 P21728 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL3977318 0.92 DRD2 (0.66) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL8233390 0.91 DRD2 (0.65) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3975981 0.90 DRD2 (0.66) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL13484855 0.89 DRD3 (0.55) DRD2DRD3DRD4ADRA1AADRA1D
Hydrochloric Acid SCHEMBL3972636 0.89 DRD2 (0.65) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL8229501 0.88 DRD2 (0.55) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3980714 0.87 DRD2 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL13484922 0.86 DRD3 (0.57) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3981789 0.86 DRD2 (0.65) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3982187 0.86 DRD2 (0.46) DRD2DRD3DRD4ADRA1AADRA1D

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