SCHEMBL3980717

SCHEMBL3980717

COc1ccc(N2CCN(CCCCN)CC2)cc1OC.O=C(O)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
ADORA2B P29275 1/20 0.38
HTR4 Q13639 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3980711 0.93 POLB (0.43) POLBKCNH2MEN1KMT2ADRD4
SCHEMBL3982189 0.88 DRD2 (0.44) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL3980714 0.85 DRD2 (0.51) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL3977788 0.83 HSD17B10 (0.54) POLBMEN1KMT2ADRD4DRD2
SCHEMBL3977448 0.83 SIGMAR1 (0.45) POLBKCNH2MEN1KMT2ADRD4
SCHEMBL3981976 0.82 DRD2 (0.46) POLBKCNH2MEN1KMT2ADRD4
SCHEMBL3982185 0.82 CACNA1G (0.42) MEN1KMT2ADRD4DRD2HTR1A
SCHEMBL3982931 0.81 HTR1A (0.47) POLBKCNH2MEN1KMT2ADRD4
SCHEMBL3976612 0.79 DRD2 (0.48) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3978989 0.78 HSD17B10 (0.46) POLBMEN1KMT2ADRD4DRD2

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