SCHEMBL1728528

SCHEMBL1728528

COc1cccc(Oc2ccc(-n3ccn(-c4ccc(OCCN(C)C)cc4)c3=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
MCHR1 Q99705 2/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 3/20 0.45
KDR P35968 1/20 0.45
MAOB P27338 1/20 0.43
HCRTR1 O43613 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ITGA4 P13612 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
NTRK1 P04629 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 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
SCHEMBL1727854 0.89 LTA4H (0.52) LTA4HMCHR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1728669 0.88 LTA4H (0.68) LTA4HMCHR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1728647 0.88 KDM4E (0.55) LTA4HMCHR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1728764 0.86 GALR3 (0.52) LTA4HMCHR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1729490 0.83 MAPK14 (0.56) LTA4HMCHR1ALDH1A1FGFR1MAPK14
SCHEMBL1728643 0.83 MCHR1 (0.52) LTA4HMCHR1ALDH1A1FGFR1MAPK14
SCHEMBL1728527 0.82 MCHR1 (0.51) LTA4HMCHR1FGFR1MAPK14CYP1A2
SCHEMBL1727319 0.82 LTA4H (0.51) LTA4HMCHR1KDM4ESMN1; SMN2ESR1
SCHEMBL1728773 0.81 CHRNB2 (0.59) LTA4HMCHR1FGFR1MAPK14CYP1A2
SCHEMBL6081331 0.80 MCHR1 (0.53) LTA4HMCHR1SMN1; SMN2ESR1KDR

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