SCHEMBL14592686

SCHEMBL14592686

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)c1n[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 1.00
▸ ITGB1 P05556 19/20 1.00

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
SCHEMBL14592709 0.93 ITGA4 (0.88) ITGA4ITGB1
SCHEMBL14592342 0.89 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592347 0.88 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592335 0.87 ITGA4 (1.00) ITGA4ITGB1
SCHEMBL14592353 0.87 ITGB1 (0.79) ITGA4ITGB1
SCHEMBL14592341 0.84 ITGB1 (0.84) ITGA4ITGB1
SCHEMBL14592358 0.84 ITGB1 (0.74) ITGA4ITGB1
SCHEMBL14592283 0.83 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592323 0.83 ITGA4 (0.78) ITGA4ITGB1
SCHEMBL14592350 0.81 ITGA4 (0.70) ITGA4ITGB1

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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