SCHEMBL1728580

SCHEMBL1728580

CC(C)N(C)CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.51
MCHR1 Q99705 5/20 0.51
KCNH2 Q12809 3/20 0.51
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1B Q00975 1/20 0.41
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
SCHEMBL1728669 0.88 LTA4H (0.68) LTA4HMCHR1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL1728748 0.85 MCHR1 (0.66) LTA4HMCHR1KCNH2ALDH1A1MEN1
SCHEMBL6081348 0.83 LTA4H (0.51) LTA4HMCHR1KCNH2SMN1; SMN2
SCHEMBL1728135 0.83 LTA4H (0.51) LTA4HMCHR1KCNH2
SCHEMBL1728610 0.81 KCNH2 (0.57) LTA4HMCHR1KCNH2
SCHEMBL1728571 0.81 LSS (0.41) MCHR1KCNH2
SCHEMBL1729526 0.80 KDM4E (0.46) LTA4HMCHR1KCNH2ALDH1A1
SCHEMBL12744959 0.79 LTA4H (0.58) LTA4HKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1727501 0.78 LTA4H (0.45) LTA4HMCHR1KCNH2
SCHEMBL1728761 0.78 LTA4H (0.66) LTA4HMCHR1SMN1; SMN2

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