SCHEMBL4374388

SCHEMBL4374388

O=C(O)C[C@@H](c1ccc2[nH]c(=O)oc2c1)N1CCC(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGAV P06756 6/20 0.45
GRIN2B Q13224 1/20 0.33
OPRD1 P41143 2/20 0.31
ENPP2 Q13822 1/20 0.30
ATXN2 Q99700 1/20 0.30

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
SCHEMBL7600972 0.85 ITGAV (0.44) ITGB3ITGAVGRIN2BOPRD1ENPP2
SCHEMBL7596629 0.85 ITGAV (0.44) ITGB3ITGAVGRIN2BOPRD1ENPP2
SCHEMBL4379967 0.84 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4374753 0.84 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL4045463 0.82 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL4367915 0.82 ITGAV (0.44) ITGB3ITGAV
SCHEMBL4368878 0.81 ITGAV (0.47) ITGB3ITGAV
SCHEMBL4370764 0.81 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL4376692 0.81 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL4386638 0.80 ITGB3 (0.43) ITGB3ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed