SCHEMBL1729481

SCHEMBL1729481

CC(=O)NC1CCN(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.67
SLC2A1 P11166 1/20 0.49
HTR7 P34969 5/20 0.47
MCHR1 Q99705 2/20 0.47
HTR2A P28223 1/20 0.47
MC4R P32245 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR6 P50406 1/20 0.45
KDM1A O60341 1/20 0.45
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44

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
SCHEMBL1728780 0.86 LTA4H (0.58) LTA4HHTR7MC4RKDM1AHRH2
SCHEMBL1727661 0.83 LTA4H (0.60) LTA4HMCHR1HRH2HRH1
SCHEMBL6081461 0.81 HRH3 (0.52) LTA4HMCHR1KDM1A
SCHEMBL1728694 0.81 KDM4E (0.56) LTA4HMCHR1
SCHEMBL1728503 0.81 LTA4H (0.54) LTA4HMCHR1
SCHEMBL1729486 0.81 HRH3 (0.48) LTA4HMCHR1KDM1AHRH2HRH1
SCHEMBL7138817 0.80 LTA4H (1.00) LTA4HMCHR1MC4R
SCHEMBL6082585 0.80 LTA4H (0.46) LTA4HHTR7MCHR1HTR1ADRD2
SCHEMBL1727388 0.80 LTA4H (0.50) LTA4HHTR7MCHR1HTR1AHRH1
SCHEMBL1728768 0.80 LTA4H (0.50) LTA4HHTR7MCHR1HTR1AHRH1

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