SCHEMBL1728643

SCHEMBL1728643

COc1ccccc1Oc1ccc(-n2ccn(-c3ccc(OCCN(C)C)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.52
LTA4H P09960 2/20 0.50
HTR7 P34969 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 3/20 0.42
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
CACNA1B Q00975 3/20 0.40
CACNA1H O95180 2/20 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
SCHEMBL1728515 0.88 MCHR1 (0.52) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL1729494 0.87 MCHR1 (0.51) MCHR1LTA4HL3MBTL1MAPK14CYP1A2
SCHEMBL1728628 0.87 MCHR1 (0.51) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL1728669 0.87 LTA4H (0.68) MCHR1LTA4HALDH1A1MAPK14CYP1A2
SCHEMBL1727393 0.84 LTA4H (0.52) MCHR1LTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL1727319 0.83 LTA4H (0.51) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL1728528 0.83 LTA4H (0.52) MCHR1LTA4HALDH1A1MAPK14CYP1A2
SCHEMBL1729490 0.82 MAPK14 (0.56) MCHR1LTA4HALDH1A1MAPK14CYP1A2
SCHEMBL6082151 0.82 MCHR1 (0.60) MCHR1LTA4HHTR7ALDH1A1MAPK14
SCHEMBL6081454 0.81 MCHR1 (0.53) MCHR1LTA4HHTR7ALDH1A1KCNH2

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