SCHEMBL7302647

SCHEMBL7302647

CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@H]3C(=O)N=C(N)N(CCC[C@H](N)C(=O)O)C(=O)OCc3ccccc3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 2/20 0.45
CCR4 P51679 1/20 0.40
TGM2 P21980 2/20 0.40
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
TYMS P04818 2/20 0.37

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
SCHEMBL7298606 0.92 FKBP4 (0.41) FKBP4CCR4TGM2
SCHEMBL7293906 0.88 FKBP4 (0.39) FKBP4TGM2TYMS
SCHEMBL7302798 0.78 SPHK2 (0.44)
SCHEMBL7302058 0.78 KLK7 (0.45)
SCHEMBL7296963 0.78 ACE (0.40)
SCHEMBL7297128 0.75 CPT2 (0.44)
SCHEMBL7338057 0.72 ACE (0.38)
SCHEMBL7305461 0.72 HTR2C (0.39)
SCHEMBL7296919 0.71 LTA4H (0.38)
SCHEMBL7297651 0.70 ITGB3 (0.47)

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-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP claimed