SCHEMBL14592319

SCHEMBL14592319

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@H](C(=O)O)CC3)cc2Cl)c2c(F)cccc21

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.84
▸ ITGB1 P05556 19/20 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
SCHEMBL14592318 0.94 ITGA4 (0.75) ITGA4ITGB1
SCHEMBL14592283 0.91 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592313 0.88 ITGB1 (0.86) ITGA4ITGB1
SCHEMBL14592311 0.88 ITGB1 (0.86) ITGA4ITGB1
SCHEMBL14592307 0.86 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592306 0.86 ITGB1 (0.90) ITGA4ITGB1
SCHEMBL14626979 0.86 ITGB1 (0.63) ITGA4ITGB1
SCHEMBL14592282 0.85 ITGA4 (0.89) ITGA4ITGB1
SCHEMBL14592546 0.85 ITGB1 (0.88) ITGA4ITGB1
SCHEMBL14592453 0.84 ITGB1 (1.00) 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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