SCHEMBL3977448

SCHEMBL3977448

NCCCCN1CCN(c2cccc(CO)c2)CC1.O=C(O)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
KCNH2 Q12809 1/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CACNA1G O43497 1/20 0.41
DRD4 P21917 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3981976 0.87 DRD2 (0.46) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL3977444 0.85 DRD2 (0.52) KCNH2HTR1ADRD2HTR7HTR2A
SCHEMBL3982931 0.84 HTR1A (0.47) KCNH2HTR1ADRD2HTR7HTR2A
SCHEMBL3976612 0.83 DRD2 (0.48) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL3980717 0.83 POLB (0.42) KCNH2HTR1ADRD2HTR7HTR2A
SCHEMBL3981973 0.79 DRD2 (0.46) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL3977439 0.78 HTR1A (0.45) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL3982189 0.77 DRD2 (0.44) HTR1ADRD2HTR2ACACNA1GDRD4
SCHEMBL3187471 0.77 CYP2D6 (0.57) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL3982437 0.77 DRD2 (0.56) KCNH2HTR1ADRD2HTR7HTR2A

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