SCHEMBL7258952

SCHEMBL7258952

CC[C@H](C)CNc1c(N[C@@H](Cc2ccc(Nc3nccc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.48
ITGA4 P13612 18/20 0.48
APP P05067 1/20 0.43
NPR3 P17342 1/20 0.39

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
SCHEMBL7103680 1.00 ITGB1 (0.48) ITGB1ITGA4APPNPR3
SCHEMBL7103805 0.92 ITGB1 (0.54) ITGB1ITGA4APPNPR3
SCHEMBL7103802 0.92 ITGB1 (0.54) ITGB1ITGA4APPNPR3
SCHEMBL7103715 0.90 ITGB1 (0.60) ITGB1ITGA4APPNPR3
SCHEMBL7103720 0.90 ITGB1 (0.60) ITGB1ITGA4APPNPR3
SCHEMBL7259476 0.88 ITGB1 (0.56) ITGB1ITGA4APP
SCHEMBL7105086 0.88 ITGB1 (0.56) ITGB1ITGA4APP
SCHEMBL7264602 0.87 ITGB1 (0.56) ITGB1ITGA4APP
SCHEMBL7264611 0.87 ITGB1 (0.56) ITGB1ITGA4APP
SCHEMBL7103647 0.87 ITGB1 (0.55) ITGB1ITGA4NPR3

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-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed