SCHEMBL13283231

SCHEMBL13283231

C=C(O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(=N)NC)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.67
ITGA2B P08514 16/20 0.67
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
POLB P06746 1/20 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
Ro-44-3888 SCHEMBL7283142 0.81 ITGB3 (1.00) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7284509 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7315714 0.78 ITGB3 (0.75) ITGB3ITGA2BPREPFAP
SCHEMBL8379238 0.76 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL8379235 0.76 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL6947214 0.75 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947203 0.75 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7285318 0.75 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7285305 0.75 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7274714 0.73 ITGB3 (0.80) ITGB3ITGA2B

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
WO-2010078867-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-07-15 WO disclosed