SCHEMBL3978989

SCHEMBL3978989

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
DRD4 P21917 4/20 0.41
HTR1A P08908 4/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 1/20 0.40
MAOB P27338 1/20 0.40
SHMT2 P34897 1/20 0.40
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 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
SCHEMBL3977788 0.93 HSD17B10 (0.54) HSD17B10POLBTP53DRD4HTR1A
SCHEMBL3978985 0.92 DRD4 (0.43) HSD17B10POLBTP53DRD4HTR1A
SCHEMBL3978987 0.86 DRD4 (0.52) POLBTP53DRD4HTR1ADRD2
SCHEMBL3977781 0.84 POLB (0.48) HSD17B10POLBTP53DRD4HTR1A
SCHEMBL3980507 0.81 MAPT (0.43) DRD4HTR1AHTR2AMAPTHTR7
SCHEMBL3981976 0.79 DRD2 (0.46) POLBDRD4HTR1ADRD2HTR2A
SCHEMBL3980717 0.78 POLB (0.42) HSD17B10POLBDRD4HTR1ADRD2
SCHEMBL8223703 0.78 DRD3 (0.54) DRD4HTR1ADRD2HTR2AMEN1
SCHEMBL3977786 0.77 DRD3 (0.57) POLBTP53DRD4HTR1ADRD2
SCHEMBL13484900 0.75 DRD3 (0.50) DRD4HTR1ASLC6A4DRD2HTR2A

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