SCHEMBL1728441

SCHEMBL1728441

CCC1CCC(C)N(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 3/20 0.38
MCHR1 Q99705 4/20 0.38
MCHR2 Q969V1 1/20 0.38
KCNH2 Q12809 3/20 0.37

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
SCHEMBL1729474 0.84 HRH3 (0.57) HRH3KCNH2
SCHEMBL1729757 0.83 LTA4H (0.53) HRH3MEN1KMT2ALTA4HMCHR1
SCHEMBL1727398 0.79 NPC1 (0.49) HRH3LTA4HMCHR1MCHR2KCNH2
SCHEMBL1728694 0.77 KDM4E (0.56) HRH3KMT2ALTA4HMCHR1MCHR2
SCHEMBL1727374 0.77 LTA4H (0.46) HRH3MEN1KMT2ALTA4HMCHR1
SCHEMBL6081377 0.75 LTA4H (0.44) HRH3LTA4HMCHR1MCHR2KCNH2
SCHEMBL6081517 0.75 LTA4H (0.45) HRH3LTA4HMCHR1MCHR2KCNH2
SCHEMBL1728674 0.75 ALDH1A1 (0.60) HRH3MEN1KMT2ALTA4HMCHR1
SCHEMBL6081914 0.74 MCHR1 (0.48) HRH3LTA4HMCHR1MCHR2KCNH2
SCHEMBL6081905 0.74 MCHR1 (0.48) HRH3LTA4HMCHR1MCHR2KCNH2

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