SCHEMBL3981973

SCHEMBL3981973

N#Cc1cccc(N2CCN(CCCC(N)=O)CC2)c1.O=C(O)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
KCNH2 Q12809 2/20 0.43
HTR1A P08908 7/20 0.42
HTR7 P34969 6/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42
CACNA1G O43497 3/20 0.42
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD4 P21917 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
SCHEMBL3981976 0.92 DRD2 (0.46) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL3981975 0.84 DRD3 (0.57) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL3981876 0.83 HTR1A (0.46) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL3980711 0.82 POLB (0.43) DRD2KCNH2CACNA1GMEN1ALDH1A1
SCHEMBL3976607 0.82 DRD2 (0.48) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL3977439 0.80 HTR1A (0.45) DRD2KCNH2HTR1AHTR7HTR2A
SCHEMBL3187437 0.80 DRD2 (0.69) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL3978985 0.79 DRD4 (0.43) DRD2HTR1AHTR2AMEN1POLB
SCHEMBL3977448 0.79 SIGMAR1 (0.45) DRD2KCNH2HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL3207060 0.79 DRD2 (0.67) DRD2DRD3KCNH2HTR1AHTR7

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