SCHEMBL12848673

SCHEMBL12848673

O=Nc1ccc(C(=O)O[C@H]2C[C@H](C(=O)Nc3ccc(N4CCOCC4=O)cc3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.69
MAPT P10636 1/20 0.44

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
SCHEMBL92852 0.93 F10 (0.61) F10MAPT
SCHEMBL76720 0.88 F10 (0.68) F10MAPT
SCHEMBL76719 0.88 F10 (0.68) F10MAPT
SCHEMBL92844 0.87 F10 (0.50) F10MAPT
SCHEMBL76172 0.86 F10 (0.80) F10MAPT
SCHEMBL76173 0.86 F10 (0.80) F10MAPT
SCHEMBL76762 0.84 F10 (0.83) F10MAPT
SCHEMBL76323 0.84 F10 (0.77) F10MAPT
SCHEMBL75697 0.84 F10 (0.82) F10MAPT
SCHEMBL75696 0.84 F10 (0.82) F10MAPT

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-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed