SCHEMBL6081167

SCHEMBL6081167

COCCN(C)CCOc1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 8/20 0.41
LSS P48449 1/20 0.39
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.36
ACACB O00763 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL1728688 0.89 LSS (0.48) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL6080844 0.88 MCHR1 (0.41) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL1729124 0.88 LSS (0.47) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL1729760 0.88 LSS (0.47) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL1728571 0.86 LSS (0.41) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL1729087 0.85 MAPK14 (0.51) MCHR1HRH3LSSMAPK14
SCHEMBL1729099 0.84 MAPT (0.45) MCHR1KCNH2HRH3LSSMAPT
SCHEMBL6081904 0.83 HRH3 (0.42) HRH3KMT2AACACB
SCHEMBL6081179 0.83 HRH3 (0.41) HRH3KMT2AACACB
SCHEMBL1728856 0.80 HRH3 (0.42) MCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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