SCHEMBL3973174

SCHEMBL3973174

COc1ccc2c(c1)C=C(C(=O)Oc1cccc(N3CCN(CCCC(N)=O)CC3)c1)CS2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
HTR1A P08908 10/20 0.49
CACNA1G O43497 2/20 0.48
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
HTR7 P34969 2/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL3974263 0.84 HTR2A (0.49) HTR1ADRD2HTR7HTR2ASIGMAR1
SCHEMBL3198591 0.81 KCNH2 (0.73) KCNH2HTR1ACACNA1GDRD2DRD4
Hydrochloric Acid SCHEMBL3212431 0.80 KCNH2 (0.71) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL3973177 0.78 KCNH2 (0.48) KCNH2HTR1ADRD2HTR2A
SCHEMBL3976400 0.78 ALDH1A1 (0.50) CACNA1GDRD2DRD4HTR7
SCHEMBL27895258 0.78 KCNH2 (0.76) KCNH2HTR1ACACNA1GDRD2DRD4
SCHEMBL3982372 0.77 HTR7 (0.51) HTR1ACACNA1GDRD4HTR7
SCHEMBL3973175 0.77 DRD3 (0.55) KCNH2HTR1ADRD2DRD4HTR2A
SCHEMBL3982331 0.76 HTR1A (0.51) KCNH2HTR1ACACNA1GDRD2HTR7
SCHEMBL3974266 0.76 HTR2A (0.49) KCNH2HTR1ADRD2HTR7HTR2A

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 4 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
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