SCHEMBL3982372

SCHEMBL3982372

COC(=O)c1cccc(N2CCN(CCCC(N)=O)CC2)c1.O=C(O)C1=Cc2ccccc2SC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.51
MAPT P10636 2/20 0.42
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 3/20 0.41
DRD3 P35462 3/20 0.41
HTR1A P08908 5/20 0.41
HTT P42858 1/20 0.40
DRD4 P21917 1/20 0.40
NPC1 O15118 1/20 0.39
CACNA1G O43497 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL3982377 0.92 HTR7 (0.51) HTR7MAPTTSHRMEN1ALDH1A1
SCHEMBL3974512 0.86 MAPT (0.42) HTR7MAPTMEN1ALDH1A1KMT2A
SCHEMBL3982374 0.84 DRD3 (0.52) HTR7DRD3HTR1ADRD4
SCHEMBL3981781 0.83 DRD2 (0.50) HTR7DRD3HTR1A
SCHEMBL3187810 0.83 HTR7 (0.63) HTR7MAPTTSHRFAAHDRD3
SCHEMBL3982331 0.80 HTR1A (0.51) HTR7HTR1ACACNA1G
SCHEMBL3974517 0.78 HTR1A (0.42) HTR7MAPTALDH1A1DRD3HTR1A
SCHEMBL3978343 0.78 DRD3 (0.52) HTR7FAAHDRD3HTR1ADRD4
SCHEMBL3974263 0.78 HTR2A (0.49) HTR7TSHRMEN1KMT2ADRD3
SCHEMBL3975348 0.77 DRD2 (0.46) HTR7DRD3HTR1A

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