SCHEMBL8076576

SCHEMBL8076576

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

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.55
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51

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
SCHEMBL8076407 0.82 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL2895404 0.79 GPR119 (0.48) DPP4
SCHEMBL2895407 0.79 GPR119 (0.48) DPP4
SCHEMBL7444460 0.78 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL6160632 0.76 DPP4 (0.71) DPP4
SCHEMBL6162809 0.76 DPP4 (0.71) DPP4
SCHEMBL8280241 0.73 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6160984 0.72 DPP4 (0.85) DPP4
SCHEMBL6160980 0.72 DPP4 (0.85) DPP4
SCHEMBL7321895 0.72 ITGB3 (0.74) ITGB3ITGA2B

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