SCHEMBL5333196

SCHEMBL5333196

CCCC1=C(NC(Cc2ccc(Nc3nccc4cnccc34)cc2)C(=O)O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.36
ITGA4 P13612 18/20 0.36
NPR3 P17342 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL7130851 0.92 NPR3 (0.36) ITGB1ITGA4NPR3
SCHEMBL5263353 0.88 ITGB1 (0.36) ITGB1ITGA4NPR3
SCHEMBL5264342 0.88 ITGB1 (0.36) ITGB1ITGA4NPR3
SCHEMBL6537276 0.86 NPR3 (0.37) ITGB1ITGA4NPR3
SCHEMBL5333186 0.85 PIM1 (0.34) ITGB1ITGA4TRPV1
SCHEMBL5149509 0.82 TRPV1 (0.39) ITGB1ITGA4NPR3TRPV1
SCHEMBL5259088 0.81 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL2982616 0.79 ITGB1 (0.51) ITGB1ITGA4NPR3
SCHEMBL7098869 0.77 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL5259895 0.77 ITGB1 (0.35) 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
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed