SCHEMBL1728773

SCHEMBL1728773

CN(C)CCOc1ccc(-n2ccn(-c3ccc(Oc4cccnc4)cc3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
LTA4H P09960 1/20 0.51
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CSF1R P07333 1/20 0.48
MCHR1 Q99705 1/20 0.47
CYP3A4 P08684 2/20 0.43
TNK2 Q07912 1/20 0.42
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 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 0.87 LTA4H (0.68) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1728527 0.84 MCHR1 (0.51) CHRNB2CHRNA4LTA4HCYP1A2CYP2D6
SCHEMBL1729490 0.82 MAPK14 (0.56) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1727319 0.81 LTA4H (0.51) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1727854 0.81 LTA4H (0.52) CHRNB2CHRNA4LTA4HCYP1A2CYP2D6
SCHEMBL1728528 0.81 LTA4H (0.52) CHRNB2CHRNA4LTA4HCYP1A2CYP2D6
SCHEMBL1728647 0.80 KDM4E (0.55) CHRNB2CHRNA4LTA4HCYP1A2CYP2D6
SCHEMBL1728764 0.78 GALR3 (0.52) LTA4HMCHR1
SCHEMBL1728491 0.78 LTA4H (0.52) CHRNB2CHRNA4LTA4HCYP1A2CYP2D6
SCHEMBL6080985 0.78 MCHR1 (0.54) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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