SCHEMBL1728768

SCHEMBL1728768

O=c1n(-c2ccc(OCCN3CC[C@@H]4CCCC[C@@H]4C3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 4/20 0.45
MCHR2 Q969V1 1/20 0.45
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6081556 1.00 LTA4H (0.50) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL1727388 1.00 LTA4H (0.50) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL6081461 0.85 HRH3 (0.52) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL1727661 0.85 LTA4H (0.60) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL1728694 0.83 KDM4E (0.56) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL1728503 0.83 LTA4H (0.54) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL6081884 0.83 TMEM97 (0.60) LTA4HMCHR1KCNH2HRH3TMEM97
SCHEMBL1729486 0.83 HRH3 (0.48) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL6082585 0.82 LTA4H (0.46) LTA4HMCHR1KCNH2HRH3MCHR2
SCHEMBL6081709 0.80 TMEM97 (0.69) LTA4HMCHR1KCNH2HRH3TMEM97

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