SCHEMBL8073649

SCHEMBL8073649

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.37
ITGA2B P08514 9/20 0.37
HRH2 P25021 6/20 0.36
HRH1 P35367 6/20 0.36
IDO1 P14902 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ITGAV P06756 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
SCHEMBL8073128 0.93 HRH2 (0.36) ITGB3ITGA2BHRH2HRH1ITGAV
SCHEMBL8066212 0.90 PTPN1 (0.37) ITGB3ITGA2BHRH2HRH1CTSS
SCHEMBL8073645 0.85 HRH2 (0.36) HRH2HRH1
SCHEMBL8080722 0.85 HRH2 (0.36) HRH2HRH1
SCHEMBL8057985 0.84 HRH2 (0.35) ITGB3ITGA2BHRH2HRH1
SCHEMBL8066147 0.84 ELANE (0.35) HRH2HRH1
SCHEMBL2899185 0.80 GPR119 (0.40) HRH2HRH1
SCHEMBL2899181 0.80 GPR119 (0.40) HRH2HRH1
SCHEMBL8067444 0.79 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL8057786 0.79 ITGB3 (0.60) ITGB3ITGA2BITGAV

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