SCHEMBL7259405

SCHEMBL7259405

CCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3ccccc3F)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.64
ITGA4 P13612 19/20 0.64
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7259410 1.00 ITGB1 (0.64) ITGB1ITGA4MEN1NPC1RAB9A
SCHEMBL7104209 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7104199 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7263253 0.84 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL7263254 0.84 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL7264082 0.83 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL7263184 0.82 ITGB1 (0.72) ITGB1ITGA4
SCHEMBL7099962 0.82 ITGB1 (0.72) ITGB1ITGA4
SCHEMBL7100845 0.82 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7105527 0.82 ITGB1 (0.63) 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-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