SCHEMBL14592437

SCHEMBL14592437

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3C[C@@H](F)C[C@H]3CCN3CCC(C(=O)O)CC3)cc2Cl)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.79
▸ ITGB1 P05556 17/20 0.79

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
SCHEMBL14592436 0.92 ITGA4 (0.70) ITGA4ITGB1
SCHEMBL14592283 0.88 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592430 0.88 ITGA4 (0.81) ITGA4ITGB1
SCHEMBL14592439 0.85 ITGA4 (0.75) ITGA4ITGB1
SCHEMBL14626918 0.83 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL14592307 0.82 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592306 0.82 ITGB1 (0.90) ITGA4ITGB1
SCHEMBL14592282 0.82 ITGA4 (0.89) ITGA4ITGB1
SCHEMBL84715 0.82 ITGB1 (0.85) ITGA4ITGB1
SCHEMBL14592546 0.81 ITGB1 (0.88) 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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