SCHEMBL762664

SCHEMBL762664

COc1ccncc1[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 18/20 0.45

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
SCHEMBL4883355 0.84 CTSA (0.51) CTSA
SCHEMBL27603568 0.84 CTSA (0.51) CTSA
SCHEMBL646089 0.79 AAK1 (0.44) CTSA
SCHEMBL739456 0.77 SUCNR1 (0.49)
SCHEMBL739452 0.77 SUCNR1 (0.49)
SCHEMBL19744371 0.75 CTSA (0.55) CTSA
SCHEMBL31757758 0.75 CTSA (0.55) CTSA
SCHEMBL19744367 0.75 CTSA (0.55) CTSA
SCHEMBL31757886 0.75 CTSS (0.44) CTSA
SCHEMBL13802935 0.75 AAK1 (0.41) CTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed