SCHEMBL2962102

SCHEMBL2962102

O=C(O)CC(CCC1CCN(C(=O)C(I)Cc2ccc3c(n2)NCCC3)C(I)C1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.57
ITGAV P06756 20/20 0.57
ITGA2B P08514 3/20 0.57
ITGB5 P18084 12/20 0.51
ITGB1 P05556 4/20 0.51
ITGB6 P18564 4/20 0.49
ITGB8 P26012 3/20 0.48
KCNH2 Q12809 2/20 0.48

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
SCHEMBL2951622 0.89 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2903113 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL3691013 0.79 ITGB3 (0.86) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2905059 0.77 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6421258 0.73 ITGAV (0.83) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6357539 0.73 ITGAV (0.83) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6422503 0.73 ITGAV (0.83) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2927647 0.73 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2902444 0.71 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2899739 0.71 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB1

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 2 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 disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed