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SCHEMBL14626774

SCHEMBL14626774

Cn1nc(C(=O)Nc2cc(F)c(CC(=O)N3C[C@@H](S(C)(=O)=O)C[C@H]3CO[C@H]3CC[C@H](C(=O)O)CC3)cc2Cl)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.67
▸ ITGA4 P13612 20/20 0.67

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
SCHEMBL14626982 0.94 ITGA4 (0.61) ITGB1ITGA4
SCHEMBL14592353 0.92 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL14592556 0.92 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL14592487 0.91 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL14592522 0.90 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL14592586 0.90 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL14592550 0.89 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL14626771 0.89 ITGB1 (0.85) ITGB1ITGA4
SCHEMBL14592707 0.86 ITGA4 (0.66) ITGB1ITGA4
SCHEMBL14592350 0.86 ITGA4 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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