SCHEMBL16482995

SCHEMBL16482995

CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ccccc2C[C@H]1C(C)=O)C(C)C

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XIAP P98170 14/20 0.82
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
MME P08473 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL16464915 0.91 XIAP (0.82) XIAPMMEACE
SCHEMBL3722659 0.91 XIAP (0.82) XIAPMMEACE
SCHEMBL17052780 0.90 XIAP (1.00) XIAPFNTAFNTB
Hydrochloric Acid SCHEMBL16464346 0.89 XIAP (0.98) XIAPFNTAFNTB
Hydrochloric Acid SCHEMBL16464354 0.89 XIAP (0.98) XIAPFNTAFNTB
SCHEMBL20459295 0.86 XIAP (0.74) XIAP
SCHEMBL16463734 0.84 XIAP (1.00) XIAPFNTAFNTBMMEACE
SCHEMBL16484028 0.83 XIAP (1.00) XIAP
SCHEMBL20459228 0.83 XIAP (1.00) XIAP
SCHEMBL16482924 0.81 XIAP (1.00) XIAPFNTAFNTB

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-2014056755-A1 INDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed