SCHEMBL2902444

SCHEMBL2902444

O=C(O)CC(CC1CCN(C(=O)C(I)Cc2ccc3c(n2)NCCC3)CC1)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGAV P06756 20/20 0.76
ITGB5 P18084 13/20 0.62
ITGA2B P08514 8/20 0.62
ITGB1 P05556 2/20 0.54
ITGB6 P18564 1/20 0.50
ITGB8 P26012 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL548056 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2923664 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL4245408 0.86 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2951622 0.80 ITGB3 (0.65) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2905430 0.78 ITGB3 (0.84) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2902283 0.78 ITGB3 (0.86) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2928161 0.77 ITGB3 (0.79) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2922491 0.77 ITGB3 (0.82) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL2954835 0.77 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL2901622 0.75 ITGB3 (0.92) ITGB3ITGAVITGB5ITGA2B

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