SCHEMBL3974263

SCHEMBL3974263

COc1ccc2c(c1)C=C(C(=O)O)CS2.NC(=O)CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 4/20 0.49
HTR7 P34969 4/20 0.49
HTR1A P08908 2/20 0.49
HTR6 P50406 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
ABCB1 P08183 3/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3974266 0.92 HTR2A (0.49) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL3981781 0.89 DRD2 (0.50) HTR2AHTR2CHTR7HTR1ASIGMAR1
SCHEMBL3974264 0.85 DRD3 (0.57) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL3973174 0.84 KCNH2 (0.49) HTR2AHTR7HTR1ASIGMAR1DRD2
SCHEMBL3976400 0.83 ALDH1A1 (0.50) HTR7TSHRLMNADRD2GAA
SCHEMBL3973177 0.81 KCNH2 (0.48) HTR2AHTR2CHTR1ADRD2DRD3
SCHEMBL3981786 0.81 SIGMAR1 (0.52) HTR2AHTR2CHTR7HTR1ASIGMAR1
SCHEMBL3982331 0.79 HTR1A (0.51) HTR2AHTR7HTR1AHTR6SIGMAR1
SCHEMBL3209296 0.78 SIGMAR1 (0.63) HTR2AHTR7HTR1ASIGMAR1TSHR
SCHEMBL3974512 0.78 MAPT (0.42) HTR2AHTR7HTR1AMEN1KMT2A

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