SCHEMBL6526944

SCHEMBL6526944

O=C(O)CC1CC1c1cccc(OCCCNc2ccccn2)c1F

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.65
ITGAV P06756 19/20 0.65
ITGB1 P05556 4/20 0.65
ITGA2B P08514 7/20 0.49
ITGB5 P18084 7/20 0.49
ITGB6 P18564 3/20 0.45

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
SCHEMBL6528778 0.86 ITGB3 (0.65) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6325089 0.84 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6319858 0.82 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6324900 0.80 ITGB3 (0.70) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6319798 0.80 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6321240 0.79 ITGB3 (0.68) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6319031 0.79 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7014484 0.79 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6321791 0.78 ITGB3 (0.72) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6526947 0.76 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA2BITGB5

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
US-6900232-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-05-31 US claimed