SCHEMBL1728674

SCHEMBL1728674

CCN1CCN(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
LTA4H P09960 3/20 0.56
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MCHR1 Q99705 5/20 0.50
KCNH2 Q12809 2/20 0.50
MCHR2 Q969V1 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KCNA5 P22460 2/20 0.46
MAPK14 Q16539 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL6083117 0.88 DRD2 (0.59) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL6081563 0.87 LTA4H (0.55) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1728604 0.87 DRD3 (0.59) ALDH1A1KDM4EGAALTA4HMEN1
SCHEMBL1728694 0.86 KDM4E (0.56) ALDH1A1KDM4ELTA4HKMT2AMCHR1
SCHEMBL1728438 0.86 LTA4H (0.56) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1728503 0.84 LTA4H (0.54) KDM4ELTA4HMCHR1KCNH2MCHR2
SCHEMBL1729170 0.82 LTA4H (0.51) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1728498 0.82 LTA4H (0.51) ALDH1A1KDM4EGAALTA4HMCHR1
SCHEMBL6081977 0.81 LTA4H (0.56) ALDH1A1LTA4HMEN1KMT2AMCHR1
SCHEMBL6081709 0.81 TMEM97 (0.69) ALDH1A1KDM4ELTA4HMEN1KMT2A

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