SCHEMBL8229146

SCHEMBL8229146

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3ccccc3C#N)CC1)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.53
DRD4 P21917 11/20 0.53
DRD3 P35462 9/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8233390 0.90 DRD2 (0.65) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8229460 0.89 DRD2 (0.55) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8229125 0.88 DRD3 (0.55) DRD2DRD4DRD3MAPTHTR1A
SCHEMBL3978987 0.87 DRD4 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8223703 0.86 DRD3 (0.54) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8229491 0.86 DRD2 (0.67) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL8231863 0.85 DRD3 (0.60) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13484916 0.85 HTR1A (0.60) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3977786 0.85 DRD3 (0.57) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3981534 0.84 MEN1 (0.58) DRD2DRD4DRD3MEN1KMT2A

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