SCHEMBL1729209

SCHEMBL1729209

CC(=O)N1CCN(CCOc2ccc(-n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.56
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
KDM1A O60341 2/20 0.47
HRH3 Q9Y5N1 3/20 0.45
DRD2 P14416 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDR P35968 1/20 0.42
MCHR1 Q99705 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL1727689 0.88 HRH3 (0.48) HRH3MAPK14MCHR1
SCHEMBL1727579 0.85 SIGMAR1 (0.52) HRH3MAPK14CYP2D6MCHR1
SCHEMBL1728782 0.85 HRH3 (0.46) HRH3MAPK14CYP2D6MCHR1
SCHEMBL1728604 0.82 DRD3 (0.59) DRD3CYP4F2CYP4A11KDM1ADRD2
SCHEMBL1728780 0.82 LTA4H (0.58) KDM1AHRH3
SCHEMBL1727513 0.82 LTA4H (0.51) HRH3MAPK14MCHR1
SCHEMBL6081629 0.79 HRH3 (0.47) KDM1AHRH3MAPK14CYP2C9MCHR1
SCHEMBL6081541 0.79 LTA4H (0.47) HRH3MCHR1CHRM3
SCHEMBL1728829 0.79 LTA4H (0.46) HRH3MCHR1
SCHEMBL6081546 0.79 HRH3 (0.42) HRH3MAPK14MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed