SCHEMBL8177327

SCHEMBL8177327

O=C(N[C@@H](CNC(=O)c1nnc(CCCCNC2=NCCN2)s1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.60
ITGAV P06756 17/20 0.60
ITGA2B P08514 7/20 0.54
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL8177163 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BMALT1
SCHEMBL8177114 0.84 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8177121 0.84 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7371595 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7371601 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL8177321 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL7373310 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BMALT1
SCHEMBL7374249 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BMALT1
SCHEMBL8168332 0.78 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL13059982 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2B

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
US-6153628-A 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-28 US disclosed