SCHEMBL1728694

SCHEMBL1728694

CC1CCN(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
LTA4H P09960 2/20 0.54
HRH3 Q9Y5N1 4/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MCHR1 Q99705 3/20 0.48
KCNH2 Q12809 2/20 0.48
MCHR2 Q969V1 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL1728503 0.89 LTA4H (0.54) KDM4ELTA4HHRH3SIGMAR1MCHR1
SCHEMBL1728674 0.86 ALDH1A1 (0.60) KDM4ELTA4HHRH3ALDH1A1MCHR1
SCHEMBL6081709 0.86 TMEM97 (0.69) KDM4ELTA4HHRH3SIGMAR1ALDH1A1
SCHEMBL6081461 0.85 HRH3 (0.52) LTA4HHRH3SIGMAR1MCHR1KCNH2
SCHEMBL1727661 0.85 LTA4H (0.60) LTA4HHRH3MCHR1KCNH2MCHR2
SCHEMBL1729486 0.84 HRH3 (0.48) LTA4HHRH3SIGMAR1MCHR1KCNH2
SCHEMBL1728438 0.84 LTA4H (0.56) LTA4HHRH3MCHR1KCNH2MCHR2
SCHEMBL1729757 0.84 LTA4H (0.53) LTA4HHRH3MCHR1KCNH2MCHR2
SCHEMBL6083117 0.84 DRD2 (0.59) LTA4HHRH3SIGMAR1MCHR1KCNH2
SCHEMBL1727579 0.83 SIGMAR1 (0.52) KDM4EHRH3SIGMAR1MCHR1KMT2A

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