SCHEMBL1728741

SCHEMBL1728741

O=c1n(-c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
MCHR1 Q99705 5/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 2/20 0.46
MCHR2 Q969V1 1/20 0.46
ADORA2A P29274 1/20 0.44
DRD2 P14416 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL6081977 0.83 LTA4H (0.56) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL6082223 0.82 GRIN2D (0.52) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL6083117 0.81 DRD2 (0.59) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL1728438 0.81 LTA4H (0.56) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL1728674 0.81 ALDH1A1 (0.60) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL6081563 0.81 LTA4H (0.55) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL1728604 0.80 DRD3 (0.59) LTA4HMCHR1KCNH2DRD2
SCHEMBL1728503 0.80 LTA4H (0.54) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL1729170 0.80 LTA4H (0.51) LTA4HMCHR1HRH3KCNH2MCHR2
SCHEMBL1728694 0.80 KDM4E (0.56) LTA4HMCHR1HRH3KCNH2MCHR2

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