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SCHEMBL4625313

SCHEMBL4625313

Cc1cccc(Cl)c1C(=O)NC(Cc1ccc2nc(-c3c(C(F)(F)F)nn(C)c3Cl)ccc2c1)C(=O)O.Cn1nc(C(F)(F)F)c(-c2ccc3cc(CC(NC(=O)c4ccc(S(C)(=O)=O)cc4Cl)C(=O)O)ccc3n2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ ITGA4 P13612 19/20 0.51
▸ ITGB7 P26010 15/20 0.46
▸ ITGA2 P17301 1/20 0.40

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
SCHEMBL3314805 0.93 ITGB1 (0.51) ITGB1ITGAVITGA4ITGB7
SCHEMBL3314948 0.91 ITGB1 (0.67) ITGB1ITGAVITGA4ITGB7ITGA2
SCHEMBL4625192 0.87 ITGB1 (0.73) ITGB1ITGAVITGA4ITGB7
SCHEMBL3314912 0.84 ITGB1 (0.60) ITGB1ITGAVITGA4ITGB7ITGA2
SCHEMBL3316023 0.84 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7
SCHEMBL27621109 0.81 ITGB1 (0.62) ITGB1ITGAVITGA4ITGB7
SCHEMBL3315049 0.81 ITGB1 (0.62) ITGB1ITGAVITGA4ITGB7
SCHEMBL3316095 0.80 ITGB1 (0.56) ITGB1ITGAVITGA4ITGB7
SCHEMBL3314968 0.79 ITGB1 (0.87) ITGB1ITGAVITGA4ITGB7ITGA2
SCHEMBL3318016 0.78 ITGB1 (0.55) ITGB1ITGAVITGA4ITGB7

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
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 — — EP claimed