SCHEMBL970253

SCHEMBL970253

CN(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
METAP2 P50579 6/20 0.37
METAP1 P53582 4/20 0.36
CTSK P43235 4/20 0.34
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 1/20 0.31

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
SCHEMBL968622 0.90 REN (0.31) REN
SCHEMBL499254 0.87 CTSK (0.36) METAP2METAP1CTSKCTSLCTSB
SCHEMBL3607292 0.87 CTSK (0.36) METAP2METAP1CTSKCTSLCTSB
SCHEMBL499255 0.87 CTSK (0.36) METAP2METAP1CTSKCTSLCTSB
SCHEMBL3607293 0.87 CTSK (0.36) METAP2METAP1CTSKCTSLCTSB
SCHEMBL1866462 0.85 CTSK (0.34) METAP2METAP1CTSKCTSLCTSB
SCHEMBL1866461 0.85 CTSK (0.34) METAP2METAP1CTSKCTSLCTSB
SCHEMBL1859646 0.81 SLC6A2 (0.34) METAP2
SCHEMBL1863285 0.81 SLC6A2 (0.34) METAP2
SCHEMBL1862797 0.80 ANPEP (0.33)

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-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed