SCHEMBL7716467

SCHEMBL7716467

CCN(CC)c1c(N[C@@H](Cc2ccc(Nc3nc(C(C)C)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.53
ITGA4 P13612 19/20 0.53
NPR3 P17342 1/20 0.38

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
SCHEMBL7710752 0.90 ITGB1 (0.54) ITGB1ITGA4NPR3
SCHEMBL7258653 0.90 ITGB1 (0.56) ITGB1ITGA4NPR3
SCHEMBL7714171 0.89 ITGB1 (0.54) ITGB1ITGA4NPR3
SCHEMBL7714166 0.89 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7104336 0.85 ITGB1 (0.60) ITGB1ITGA4NPR3
SCHEMBL7716188 0.84 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7716191 0.84 ITGB1 (0.43) ITGB1ITGA4NPR3
SCHEMBL7589143 0.84 ITGB1 (0.47) ITGB1ITGA4NPR3
SCHEMBL7258634 0.83 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7716204 0.83 ITGB1 (0.49) ITGB1ITGA4

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