SCHEMBL2905958

SCHEMBL2905958

O=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)C(I)C1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 15/20 0.56
ITGA2B P08514 10/20 0.56
ITGB1 P05556 2/20 0.50
ITGB6 P18564 2/20 0.50
ITGB5 P18084 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
SCHEMBL3688040 0.88 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2905452 0.79 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL13074861 0.78 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL8345381 0.76 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2899066 0.75 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2899617 0.74 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2922341 0.72 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL13344605 0.72 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2900012 0.69 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2899491 0.69 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed