SCHEMBL1728780

SCHEMBL1728780

CC(=O)NC1CCN(CCOc2ccc(-n3ccn(-c4ccc(OC5CCCC5)cc4)c3=O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
HRH2 P25021 7/20 0.43
HRH1 P35367 7/20 0.43
HRH3 Q9Y5N1 2/20 0.42
HTR7 P34969 1/20 0.41
KDM1A O60341 1/20 0.41
ACACB O00763 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MC4R P32245 1/20 0.39

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
SCHEMBL1729481 0.86 LTA4H (0.67) LTA4HHRH2HRH1HTR7KDM1A
SCHEMBL1727513 0.84 LTA4H (0.51) LTA4HHRH2HRH1HRH3KDM4E
SCHEMBL1729209 0.82 DRD3 (0.56) HRH3KDM1A
SCHEMBL1728782 0.81 HRH3 (0.46) LTA4HHRH2HRH1HRH3
SCHEMBL1727579 0.81 SIGMAR1 (0.52) HRH3KDM4E
SCHEMBL6081629 0.81 HRH3 (0.47) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL1727689 0.80 HRH3 (0.48) HRH3ALDH1A1
SCHEMBL14446227 0.77 HRH3 (0.47) HRH3ACACB
SCHEMBL1728829 0.75 LTA4H (0.46) LTA4HHRH2HRH1HRH3
SCHEMBL1728644 0.75 HRH3 (0.42) HRH3ACACBKDM4EALDH1A1

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