SCHEMBL3976612

SCHEMBL3976612

NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1.O=C(O)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.48
HTR2A P28223 7/20 0.48
MCHR1 Q99705 1/20 0.48
HTR1A P08908 6/20 0.47
HTR2B P41595 2/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
DRD3 P35462 12/20 0.47
DRD4 P21917 7/20 0.45
DRD1 P21728 1/20 0.45
HTR2C P28335 1/20 0.45
FAAH O00519 2/20 0.45
CNR1 P21554 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL3976607 0.92 DRD2 (0.48) DRD2HTR2AMCHR1HTR1AHTR2B
SCHEMBL3982189 0.85 DRD2 (0.44) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL3976609 0.85 DRD3 (0.60) DRD2HTR2AHTR1AHTR2BDRD3
SCHEMBL3977448 0.83 SIGMAR1 (0.45) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3981976 0.82 DRD2 (0.46) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3982931 0.80 HTR1A (0.47) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3980717 0.79 POLB (0.42) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL13484896 0.78 DRD3 (0.58) DRD2HTR2AHTR1AHTR2BDRD3
SCHEMBL13484925 0.77 DRD3 (0.66) DRD2HTR2AHTR1AHTR2BDRD3
SCHEMBL3982185 0.77 CACNA1G (0.42) DRD2HTR2AHTR1ADRD4ADRA1D

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