SCHEMBL5621111

SCHEMBL5621111

O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.60
MCHR1 Q99705 5/20 0.57
MAPK14 Q16539 1/20 0.55
LTA4H P09960 3/20 0.54
KCNH2 Q12809 1/20 0.51
MCHR2 Q969V1 1/20 0.49
RAF1 P04049 2/20 0.48

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
SCHEMBL5622122 0.91 MAPK14 (0.52) HRH3MCHR1MAPK14RAF1
SCHEMBL5568993 0.89 MAPK14 (0.69) HRH3MCHR1MAPK14LTA4HRAF1
SCHEMBL5565308 0.86 LTA4H (0.74) HRH3MCHR1LTA4HKCNH2
SCHEMBL5565301 0.81 MAPK14 (0.66) MAPK14RAF1
SCHEMBL5620472 0.80 HRH3 (0.59) HRH3MAPK14LTA4HRAF1
SCHEMBL5564591 0.79 MCHR1 (0.67) MCHR1MAPK14MCHR2RAF1
SCHEMBL5621809 0.79 MCHR1 (0.61) MCHR1MAPK14RAF1
SCHEMBL5569051 0.77 MAPK14 (0.59) HRH3MCHR1MAPK14RAF1
SCHEMBL5565177 0.77 SRC (0.69) MCHR1MAPK14RAF1
SCHEMBL5569106 0.77 MAPK14 (0.63) MAPK14RAF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519653-A 2007-07-19 JP claimed
EP-1730111-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-12-13 EP claimed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 WO claimed