SCHEMBL3974517

SCHEMBL3974517

COc1ccc(N2CCN(CCCCN)CC2)cc1OC.O=C(O)C1=Cc2ccccc2SC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.42
HTR7 P34969 1/20 0.41
HTR4 Q13639 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 3/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 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
SCHEMBL3974512 0.92 MAPT (0.42) HTR1AHTR7HTR4KDM4EALDH1A1
SCHEMBL3982377 0.85 HTR7 (0.51) HTR1AHTR7ALDH1A1DRD3DRD4
SCHEMBL3974515 0.85 DRD3 (0.53) HTR1ADRD2DRD3DRD4CYP2D6
SCHEMBL3981786 0.81 SIGMAR1 (0.52) HTR1AHTR7DRD2DRD3
SCHEMBL3980650 0.80 DRD2 (0.51) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL3973177 0.80 KCNH2 (0.48) HTR1AHSD17B10DRD2DRD3
SCHEMBL3975562 0.79 HTR1A (0.45) HTR1AHTR7ALDH1A1DRD2DRD3
SCHEMBL3982372 0.78 HTR7 (0.51) HTR1AHTR7ALDH1A1DRD3DRD4
SCHEMBL3196772 0.78 HSD17B10 (0.62) HTR1AHTR7HSD17B10DRD2DRD3
SCHEMBL3982337 0.78 KCNH2 (0.53) HTR1AHTR7DRD2DRD4

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