SCHEMBL3977439

SCHEMBL3977439

NC(=O)CCCN1CCN(c2cccc(COC(=O)C3=Cc4cc(Cl)ccc4OC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
HTR7 P34969 5/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 1/20 0.45
HTR6 P50406 1/20 0.45
CACNA1G O43497 4/20 0.43
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.40
DRD4 P21917 1/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3981973 0.80 DRD2 (0.46) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3977444 0.78 DRD2 (0.52) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3977448 0.78 SIGMAR1 (0.45) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3980711 0.78 POLB (0.43) DRD2CACNA1GALDH1A1KCNH2MAPT
SCHEMBL3981876 0.78 HTR1A (0.46) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3976607 0.76 DRD2 (0.48) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3982437 0.76 DRD2 (0.56) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL13484924 0.76 DRD2 (0.54) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3187888 0.74 KCNH2 (0.74) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL3980504 0.72 MAPT (0.43) HTR1AHTR7DRD2CACNA1GALDH1A1

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