SCHEMBL1728647

SCHEMBL1728647

CN(C)CCOc1ccc(-n2ccn(-c3ccc(Oc4cccc(Cl)c4)cc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LTA4H P09960 1/20 0.51
MCHR1 Q99705 2/20 0.50
CSF1R P07333 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CACNA1B Q00975 2/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 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
SCHEMBL1728528 0.88 LTA4H (0.52) KDM4ELTA4HMCHR1CSF1RALDH1A1
SCHEMBL1727854 0.88 LTA4H (0.52) KDM4ELTA4HMCHR1CSF1RALDH1A1
SCHEMBL1728669 0.87 LTA4H (0.68) KDM4ELTA4HMCHR1ALDH1A1SMN1; SMN2
SCHEMBL1728764 0.85 GALR3 (0.52) KDM4ELTA4HMCHR1ALDH1A1SMN1; SMN2
SCHEMBL1729490 0.82 MAPK14 (0.56) LTA4HMCHR1ALDH1A1MAPK14CYP1A2
SCHEMBL1727319 0.81 LTA4H (0.51) KDM4ELTA4HMCHR1SMN1; SMN2MAPK14
SCHEMBL1729494 0.81 MCHR1 (0.51) LTA4HMCHR1MAPTMAPK14CYP1A2
SCHEMBL1728773 0.80 CHRNB2 (0.59) LTA4HMCHR1CSF1RMAPK14CYP1A2
SCHEMBL1728527 0.79 MCHR1 (0.51) LTA4HMCHR1MAPK14CYP1A2CYP2D6
SCHEMBL6081522 0.78 ALDH1A1 (0.55) KDM4ELTA4HMCHR1MAPTALDH1A1

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