SCHEMBL14224072

SCHEMBL14224072

O=CCCc1ccccc1C1CCCN(C(=O)CCCNc2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGAV P06756 5/20 0.43
ITGA2B P08514 3/20 0.43
DPP4 P27487 2/20 0.42
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ITGB5 P18084 2/20 0.38
BTK Q06187 1/20 0.38
PROKR1 Q8TCW9 2/20 0.37
ITGB1 P05556 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL8501348 0.89 ITGB3 (0.48) ITGB3ITGAVITGA2BDPP4MAPK1
SCHEMBL8474796 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BDPP4MAPK1
SCHEMBL8487967 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BDPP4MAPK1
SCHEMBL14224073 0.74 ITGB3 (0.43) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL14195949 0.71 ITGB3 (0.48) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL4805768 0.71 ITGB3 (0.48) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL14195945 0.71 ITGB3 (0.48) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL13344630 0.71 ITGB3 (0.54) ITGB3ITGAVITGA2BDPP4MAPK1
SCHEMBL8487183 0.70 ITGB3 (0.42) ITGB3ITGAVITGA2BDPP4ITGB5
SCHEMBL14195948 0.70 ITGB3 (0.42) ITGB3ITGAVITGA2BDPP4ITGB5

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-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed