SCHEMBL8345907

SCHEMBL8345907

Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(CCC(=O)O)cc3)c2=O)nc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.77
ITGA4 P13612 20/20 0.77

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
SCHEMBL8345904 0.90 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL14096938 0.87 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL5066874 0.87 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5068926 0.87 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5070975 0.86 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL5066815 0.86 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5069282 0.86 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5068391 0.83 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5069280 0.82 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5066813 0.82 ITGB1 (0.66) ITGB1ITGA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 WO disclosed