SCHEMBL1728503

SCHEMBL1728503

O=c1n(-c2ccc(OCCN3CCC(O)CC3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
MCHR1 Q99705 4/20 0.48
KCNH2 Q12809 2/20 0.48
MCHR2 Q969V1 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL1727661 0.94 LTA4H (0.60) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1728694 0.89 KDM4E (0.56) LTA4HMCHR1KCNH2MCHR2SIGMAR1
SCHEMBL6081709 0.86 TMEM97 (0.69) LTA4HMCHR1KCNH2TMEM97SIGMAR1
SCHEMBL6081461 0.85 HRH3 (0.52) LTA4HMCHR1KCNH2MCHR2TMEM97
SCHEMBL1728674 0.84 ALDH1A1 (0.60) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL6083117 0.84 DRD2 (0.59) LTA4HMCHR1KCNH2MCHR2TMEM97
SCHEMBL1728438 0.84 LTA4H (0.56) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1728782 0.83 HRH3 (0.46) LTA4HMCHR1KCNH2HRH3
SCHEMBL6081563 0.83 LTA4H (0.55) LTA4HMCHR1KCNH2MCHR2HRH3
SCHEMBL1727388 0.83 LTA4H (0.50) LTA4HMCHR1KCNH2MCHR2TMEM97

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