SCHEMBL8080722

SCHEMBL8080722

Cc1cc(OCC[C@@H](C)C2CCNCC2)ccc1C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.36
HRH1 P35367 12/20 0.36
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
ACE P12821 1/20 0.32
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL8073645 1.00 HRH2 (0.36) HRH2HRH1KDM4ENPSR1ELANE
SCHEMBL8069233 0.92 HRH2 (0.35) HRH2HRH1ELANE
SCHEMBL8066147 0.91 ELANE (0.35) HRH2HRH1NPSR1ELANEACE
SCHEMBL8073128 0.85 HRH2 (0.36) HRH2HRH1KDM4E
SCHEMBL8073649 0.85 ITGB3 (0.37) HRH2HRH1
SCHEMBL8058055 0.83 ELANE (0.36) HRH2HRH1NPSR1ELANEACE
SCHEMBL8057985 0.77 HRH2 (0.35) HRH2HRH1
SCHEMBL8066212 0.76 PTPN1 (0.37) HRH2HRH1
SCHEMBL13027124 0.76 GPR119 (0.37) HRH2HRH1ELANE
SCHEMBL2897670 0.76 GPR119 (0.37) HRH2HRH1

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
WO-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed