SCHEMBL3976402

SCHEMBL3976402

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3ccccc3F)CC1)CS2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.56
DRD3 P35462 6/20 0.56
ADRA1A P35348 2/20 0.56
HRH4 Q9H3N8 1/20 0.54
DRD4 P21917 9/20 0.54
HTR1A P08908 3/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL3974445 0.88 DRD2 (0.58) DRD2DRD3ADRA1AHRH4DRD4
SCHEMBL13484955 0.87 DRD3 (0.56) DRD2DRD3ADRA1AHRH4DRD4
SCHEMBL3976405 0.86 ALDH1A1 (0.49) DRD2DRD3ADRA1AHRH4DRD4
SCHEMBL3973436 0.85 DRD2 (0.58) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL8229460 0.85 DRD2 (0.55) DRD2DRD3ADRA1AHRH4DRD4
SCHEMBL3973175 0.84 DRD3 (0.55) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL3976400 0.84 ALDH1A1 (0.50) DRD2DRD4MAPTTP53NPSR1
SCHEMBL3974264 0.83 DRD3 (0.57) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL3984452 0.82 DRD3 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL8229500 0.82 DRD2 (0.66) DRD2DRD3ADRA1ADRD4HTR1A

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