SCHEMBL3977376

SCHEMBL3977376

Cc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
GSK3B P49841 2/20 0.48
DRD3 P35462 8/20 0.47
HTR1A P08908 6/20 0.47
HTR2A P28223 6/20 0.47
DRD2 P14416 5/20 0.47
HTR2C P28335 5/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4081203 0.88 DRD3 (0.57) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL8229127 0.88 DRD3 (0.53) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL3977127 0.88 HTR1A (0.50) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL3974595 0.87 DRD2 (0.59) MAOAMAOBTP53MAPTDRD3
SCHEMBL8223615 0.87 TP53 (0.59) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL3977157 0.87 DRD3 (0.55) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL8229514 0.87 MAOB (0.55) MAOBTP53DRD3HTR1AHTR2A
SCHEMBL3976542 0.86 DRD3 (0.50) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL3973940 0.86 DRD3 (0.60) TP53MAPTDRD3HTR1AHTR2A
SCHEMBL8231082 0.86 DRD3 (0.58) TP53MAPTDRD3HTR1AHTR2A

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