SCHEMBL3684841

SCHEMBL3684841

O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2c(c1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 15/20 1.00
ITGB5 P18084 10/20 1.00
ITGB1 P05556 1/20 0.52

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
SCHEMBL2928144 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2954835 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5
SCHEMBL2902283 0.88 ITGB3 (0.86) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2899642 0.87 ITGB3 (0.84) ITGB3ITGAVITGA2BITGB5
SCHEMBL2926965 0.86 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2927647 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2905509 0.85 ITGB3 (0.83) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2902730 0.85 ITGB3 (0.83) ITGB3ITGAVITGA2BITGB5
SCHEMBL2905344 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL4251938 0.85 ITGB3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed