SCHEMBL1728692

SCHEMBL1728692

O=c1n(-c2ccc(O)cc2)ccn1-c1ccc(OC2CCCC2)cc1.O=c1n(-c2ccc(OCCBr)cc2)ccn1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
MCHR1 Q99705 1/20 0.37
APP P05067 2/20 0.36
NAAA Q02083 1/20 0.35
PARP10 Q53GL7 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL1728856 0.94 HRH3 (0.42) HRH3MCHR1
SCHEMBL1728613 0.88 HRH3 (0.46) HRH3PARP10ACACB
SCHEMBL1728644 0.79 HRH3 (0.42) HRH3MCHR1ACACB
SCHEMBL1728688 0.79 LSS (0.48) HRH3MCHR1
SCHEMBL6081546 0.79 HRH3 (0.42) HRH3MCHR1
SCHEMBL6081508 0.79 KDM4E (0.50) HRH3
SCHEMBL1729124 0.78 LSS (0.47) HRH3MCHR1
SCHEMBL1729760 0.78 LSS (0.47) HRH3MCHR1
SCHEMBL1727601 0.78 KDM4E (0.52) HRH3
SCHEMBL1729087 0.78 MAPK14 (0.51) HRH3MCHR1APP

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 4 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
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 WO disclosed