SCHEMBL3978985

SCHEMBL3978985

COc1ccc2c(c1)C=C(C(=O)O)CO2.N#Cc1ccc(N2CCN(CCCC(N)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALOX5 P09917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR1A P08908 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 1/20 0.40
SHMT2 P34897 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL3977781 0.93 POLB (0.48) DRD4DRD2POLBTP53ALOX5
SCHEMBL3978989 0.92 HSD17B10 (0.46) DRD4DRD2POLBTP53SLC6A4
SCHEMBL3977788 0.84 HSD17B10 (0.54) DRD4DRD2POLBTP53HTR2A
SCHEMBL3978987 0.84 DRD4 (0.52) DRD4DRD2POLBTP53HTR2A
SCHEMBL3980504 0.81 MAPT (0.43) DRD4DRD2HTR1AMAPT
SCHEMBL3981973 0.79 DRD2 (0.46) DRD4DRD2POLBHTR2AHTR1A
SCHEMBL3980711 0.79 POLB (0.43) DRD4DRD2POLBMEN1KMT2A
SCHEMBL8223703 0.76 DRD3 (0.54) DRD4DRD2HTR2AHTR1AMEN1
SCHEMBL3977786 0.76 DRD3 (0.57) DRD4DRD2POLBTP53HTR2A
SCHEMBL3196892 0.76 POLB (0.52) DRD4DRD2POLBTP53HRH3

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