SCHEMBL3978987

SCHEMBL3978987

COc1ccc2c(c1)C=C(C(=O)NCCCCN1CCN(c3ccc(C#N)cc3)CC1)CO2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 7/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL3977786 0.93 DRD3 (0.57) DRD4DRD2DRD3POLBMEN1
SCHEMBL8223703 0.92 DRD3 (0.54) DRD4DRD2DRD3MEN1HSP90AA1
SCHEMBL13484900 0.90 DRD3 (0.50) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL8231863 0.88 DRD3 (0.60) DRD4DRD2DRD3MEN1HSP90AA1
SCHEMBL3976398 0.87 DRD3 (0.57) DRD4DRD2DRD3POLBMEN1
SCHEMBL13484917 0.87 DRD3 (0.51) DRD4DRD2DRD3POLBMEN1
SCHEMBL8229146 0.87 DRD2 (0.53) DRD4DRD2DRD3MEN1HSP90AA1
SCHEMBL8229266 0.86 DRD3 (0.53) DRD4DRD2DRD3MAPTTP53
SCHEMBL3978989 0.86 HSD17B10 (0.46) DRD4DRD2POLBMEN1HSP90AA1
SCHEMBL3975358 0.85 DRD3 (0.54) DRD4DRD2DRD3HTR1AHTR2A

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 3 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
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