SCHEMBL3980504

SCHEMBL3980504

CCOC(=O)c1cccc(N2CCN(CCCC(N)=O)CC2)c1.COc1ccc2c(c1)C=C(C(=O)O)CO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
DRD4 P21917 3/20 0.42
DRD2 P14416 1/20 0.42
HTR1A P08908 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR7 P34969 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3980507 0.93 MAPT (0.43) MAPTLMNADRD4HTR1AMAPK1
SCHEMBL3977781 0.86 POLB (0.48) MAPTLMNADRD4DRD2HTR1A
SCHEMBL3196255 0.85 DRD3 (0.53) DRD4DRD2HTR1ADRD3
SCHEMBL3978985 0.81 DRD4 (0.43) MAPTDRD4DRD2HTR1A
SCHEMBL3189295 0.80 HTR7 (0.50) MAPTLMNADRD4DRD2HTR1A
SCHEMBL13484920 0.79 DRD3 (0.55) DRD4DRD2HTR1ADRD3
SCHEMBL3977788 0.78 HSD17B10 (0.54) MAPTLMNADRD4DRD2HTR1A
SCHEMBL3980711 0.76 POLB (0.43) MAPTDRD4DRD2ALDH1A1CACNA1G
SCHEMBL13484977 0.75 DRD3 (0.56) DRD4DRD2HTR1ADRD3
SCHEMBL3205532 0.75 DRD3 (0.51) MAPTDRD4DRD2HTR1AKCNH2

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 disclosed
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