SCHEMBL2906767

SCHEMBL2906767

O=C(O)CC(c1cnc2ccccc2c1)C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)C(I)C1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.80
ITGAV P06756 20/20 0.80
ITGA2B P08514 9/20 0.80
ITGB5 P18084 4/20 0.80

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
SCHEMBL2901710 0.89 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5
SCHEMBL2929333 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5
SCHEMBL20158286 0.84 ITGAV (0.81) ITGB3ITGAVITGA2BITGB5
SCHEMBL21317470 0.83 ITGAV (0.78) ITGB3ITGAVITGA2BITGB5
SCHEMBL21317543 0.81 ITGAV (0.74) ITGB3ITGAVITGA2BITGB5
SCHEMBL2906161 0.81 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5
SCHEMBL29701408 0.81 ITGAV (0.73) ITGB3ITGAVITGA2BITGB5
SCHEMBL20141382 0.81 ITGAV (0.73) ITGB3ITGAVITGA2BITGB5
SCHEMBL2901622 0.80 ITGB3 (0.92) ITGB3ITGAVITGA2BITGB5
SCHEMBL8101321 0.79 ITGAV (0.70) ITGB3ITGAVITGA2BITGB5

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