SCHEMBL77722

SCHEMBL77722

CO[C@H]1CN(C(=O)O)[C@@](C(=O)Nc2ccc(N3CCOCC3=O)cc2)(C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.44
MTOR P42345 1/20 0.40

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
SCHEMBL76355 0.90 F10 (0.47) F10
SCHEMBL76576 0.89 F10 (0.47) F10MTOR
SCHEMBL76757 0.84 MAPT (0.40) F10MTOR
SCHEMBL76878 0.81 F10 (0.38) F10
SCHEMBL3096939 0.73 F10 (0.65) F10
SCHEMBL118728 0.72 F10 (0.58) F10MTOR
SCHEMBL118847 0.70 F10 (0.60) F10
SCHEMBL77720 0.70 F10 (0.60) F10
SCHEMBL1677899 0.69 F10 (0.60) F10
SCHEMBL76150 0.69 F10 (0.51) F10MTOR

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed