SCHEMBL1729757

SCHEMBL1729757

CC1CCC(C)N1CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
HRH3 Q9Y5N1 4/20 0.48
MCHR1 Q99705 4/20 0.42
MCHR2 Q969V1 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PLA2G2A P14555 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1727374 0.88 LTA4H (0.46) LTA4HHRH3MCHR1MCHR2KCNH2
SCHEMBL1729474 0.84 HRH3 (0.57) HRH3KCNH2
SCHEMBL1728694 0.84 KDM4E (0.56) LTA4HHRH3MCHR1MCHR2KCNH2
SCHEMBL1728441 0.83 HRH3 (0.41) LTA4HHRH3MCHR1MCHR2KCNH2
SCHEMBL1728829 0.83 LTA4H (0.46) LTA4HHRH3MCHR1HRH2HRH1
SCHEMBL1728761 0.80 LTA4H (0.66) LTA4HMCHR1MCHR2PLA2G2A
SCHEMBL1728503 0.80 LTA4H (0.54) LTA4HHRH3MCHR1MCHR2KCNH2
SCHEMBL1728674 0.79 ALDH1A1 (0.60) LTA4HHRH3MCHR1MCHR2HRH2
SCHEMBL6081461 0.78 HRH3 (0.52) LTA4HHRH3MCHR1MCHR2KCNH2
SCHEMBL1727661 0.78 LTA4H (0.60) LTA4HHRH3MCHR1MCHR2HRH2

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