SCHEMBL7264263

SCHEMBL7264263

CCN(Cc1ccncc1)c1c(NC(Cc2ccc(Nc3nccc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.52
ITGA4 P13612 19/20 0.52
NPR3 P17342 1/20 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
SCHEMBL7100149 1.00 ITGB1 (0.52) ITGB1ITGA4NPR3
SCHEMBL7104336 0.93 ITGB1 (0.60) ITGB1ITGA4NPR3
SCHEMBL7105057 0.89 ITGB1 (0.52) ITGB1ITGA4NPR3
SCHEMBL7259001 0.89 ITGB1 (0.52) ITGB1ITGA4NPR3
SCHEMBL7099204 0.87 ITGB1 (0.55) ITGB1ITGA4NPR3
SCHEMBL7259610 0.87 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL7099207 0.87 ITGB1 (0.55) ITGB1ITGA4NPR3
SCHEMBL7098869 0.86 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7099488 0.86 ITGB1 (0.47) ITGB1ITGA4NPR3
SCHEMBL7263997 0.86 ITGB1 (0.47) 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