SCHEMBL7715545

SCHEMBL7715545

CCN(CC)c1c(N[C@@H](Cc2ccc(Nc3nc(C)cc4ccc(F)cc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.53
ITGA4 P13612 17/20 0.53
PDE10A Q9Y233 3/20 0.36

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
SCHEMBL7710696 0.92 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7714223 0.91 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7710752 0.90 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7710715 0.90 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7259942 0.88 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7716204 0.83 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7716163 0.82 ITGB1 (0.48) ITGB1ITGA4
SCHEMBL7258653 0.81 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL7259595 0.81 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL7716162 0.81 ITGB1 (0.39) ITGB1ITGA4PDE10A

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US claimed
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed