SCHEMBL8325969

SCHEMBL8325969

N#CCCCc1ccc2c(n1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.40
ITGB3 P05106 15/20 0.40
ITGB1 P05556 3/20 0.40
ITGA5 P08648 1/20 0.40
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB6 P18564 6/20 0.34
GRM5 P41594 2/20 0.34
ITGB5 P18084 3/20 0.34
ITGA2B P08514 3/20 0.34
ITGB8 P26012 2/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL6261887 0.92 ITGAV (0.39) ITGAVITGB3ITGB1ITGA5ATM
SCHEMBL8172614 0.82 ITGAV (0.38) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL8039387 0.81 ITGAV (0.40) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL12807108 0.81 KCNH2 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL8326050 0.79 ITGAV (0.39) ITGAVITGB3ATML3MBTL1ITGB6
SCHEMBL24440037 0.79 ITGAV (0.39) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL2494472 0.79 ITGAV (0.41) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL26538782 0.79 ITGB3 (0.39) ITGAVITGB3ITGB1ITGA5L3MBTL1
SCHEMBL5848885 0.77 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6106216 0.76 ITGB3 (0.52) ITGAVITGB3ITGB1ITGA5ITGB6

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
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed