SCHEMBL3981876

SCHEMBL3981876

CS(=O)(=O)Nc1cccc(N2CCN(CCCC(N)=O)CC2)c1.O=C(O)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
DRD2 P14416 4/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
HTR7 P34969 5/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
CACNA1G O43497 6/20 0.42
TP53 P04637 1/20 0.40
DRD4 P21917 1/20 0.39
HTT P42858 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
SCHEMBL3982931 0.93 HTR1A (0.47) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL3981879 0.86 DRD2 (0.58) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL3981973 0.83 DRD2 (0.46) HTR1ADRD2DRD3HTR7MAPT
SCHEMBL3980711 0.81 POLB (0.43) DRD2ADRA1AMAPTKMT2AMEN1
SCHEMBL3197300 0.81 DRD2 (0.61) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL3976607 0.80 DRD2 (0.48) HTR1ADRD2DRD3HTR7HTR2A
SCHEMBL3975348 0.78 DRD2 (0.46) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL3977439 0.78 HTR1A (0.45) HTR1ADRD2HTR7MAPTKMT2A
SCHEMBL13484928 0.77 DRD2 (0.59) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL3977448 0.77 SIGMAR1 (0.45) HTR1ADRD2HTR7MAPTKMT2A

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