SCHEMBL8076407

SCHEMBL8076407

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCC2CCNCC2)cc1)C(=O)N1CCSC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.53
ITGA2B P08514 15/20 0.53
HRH2 P25021 3/20 0.51
HRH1 P35367 3/20 0.51
ITGAV P06756 2/20 0.51
CHRM2 P08172 1/20 0.47
SLC6A4 P31645 1/20 0.47
SRC P12931 1/20 0.45

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
SCHEMBL8071657 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8076280 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL2896729 0.82 HRH2 (0.47) ITGB3ITGA2BHRH2HRH1SRC
SCHEMBL8076576 0.82 DPP4 (0.55) ITGB3ITGA2B
SCHEMBL13852698 0.79 ADORA1 (0.48) HRH2HRH1
SCHEMBL6163257 0.79 KMT2A (0.59) HRH2HRH1
SCHEMBL6163366 0.79 KMT2A (0.59) HRH2HRH1
SCHEMBL8068236 0.77 HRH2 (0.39) HRH2HRH1
Thiomorpholine SCHEMBL9051897 0.75 KMT2A (0.58) HRH2HRH1
SCHEMBL2897279 0.74 HRH2 (0.45) ITGB3ITGA2BHRH2HRH1

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