SCHEMBL14592341

SCHEMBL14592341

O=C(Nc1cc(F)c(CC(=O)N2C[C@@H](F)C[C@H]2CO[C@H]2CC[C@H](C(=O)O)CC2)cc1Cl)c1nsc2cccc(F)c12

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.84
▸ ITGA4 P13612 20/20 0.84

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
SCHEMBL12328222 0.93 ITGA4 (0.72) ITGB1ITGA4
SCHEMBL14592342 0.91 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592686 0.84 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL14592649 0.84 ITGB1 (0.85) ITGB1ITGA4
SCHEMBL14592319 0.83 ITGA4 (0.84) ITGB1ITGA4
SCHEMBL14592347 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592335 0.82 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL14592353 0.82 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL14592340 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592272 0.81 ITGB1 (1.00) 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 2 patents. 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
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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