SCHEMBL2906704

SCHEMBL2906704

COC(=O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)C(I)C1)c1cnc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.38
ITGAV P06756 17/20 0.38
ITGA2B P08514 14/20 0.38
ITGB5 P18084 8/20 0.38
ITGB1 P05556 6/20 0.38
F2R P25116 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL2906558 0.93 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2925954 0.90 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2906764 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2899491 0.81 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2906110 0.80 FAAH (0.38) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2905461 0.80 ITGB3 (0.34) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12808312 0.79 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2906935 0.79 FAAH (0.38) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2906882 0.77 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2901789 0.75 ITGB3 (0.37) 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 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