SCHEMBL1727689

SCHEMBL1727689

CCN1CCN(CCOc2ccc(-n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 1/20 0.46
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 3/20 0.44

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
SCHEMBL1727579 0.89 SIGMAR1 (0.52) HRH3KMT2AMAPK14MCHR1
SCHEMBL1729209 0.88 DRD3 (0.56) HRH3MAPK14MCHR1
SCHEMBL1728782 0.87 HRH3 (0.46) HRH3MAPK14MCHR1KCNH2
SCHEMBL1727513 0.83 LTA4H (0.51) HRH3ALDH1A1MAPK14MCHR1
SCHEMBL6081629 0.83 HRH3 (0.47) HRH3MAPK14MCHR1KCNH2
SCHEMBL1728829 0.82 LTA4H (0.46) HRH3MCHR1
SCHEMBL6081546 0.82 HRH3 (0.42) HRH3MAPK14MCHR1KCNH2
SCHEMBL1727559 0.82 HRH3 (0.51) HRH3KCNH2
SCHEMBL1728674 0.81 ALDH1A1 (0.60) HRH3MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL1728856 0.80 HRH3 (0.42) HRH3MCHR1

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-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed