SCHEMBL8073128

SCHEMBL8073128

COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(OCC[C@@H](C)C2CCNCC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.36
HRH1 P35367 6/20 0.36
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CACNA1B Q00975 1/20 0.33
MCL1 Q07820 1/20 0.33
ACACB O00763 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL8073649 0.93 ITGB3 (0.37) HRH2HRH1ITGB3ITGA2BITGAV
SCHEMBL8057985 0.91 HRH2 (0.35) HRH2HRH1ITGB3ITGA2BSLC6A2
SCHEMBL8080722 0.85 HRH2 (0.36) HRH2HRH1KDM4E
SCHEMBL8073645 0.85 HRH2 (0.36) HRH2HRH1KDM4E
SCHEMBL8066147 0.84 ELANE (0.35) HRH2HRH1
SCHEMBL8066212 0.83 PTPN1 (0.37) HRH2HRH1ITGB3ITGA2BAAK1
SCHEMBL8076479 0.80 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2BSLC6A4
SCHEMBL8072985 0.80 ITGB3 (0.49) HRH2HRH1ITGB3ITGA2BSLC6A4
SCHEMBL2890939 0.80 GPR119 (0.40) HRH2HRH1ACACB
SCHEMBL2890936 0.80 GPR119 (0.40) HRH2HRH1ACACB

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