SCHEMBL6283714

SCHEMBL6283714

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.41
▸ DPP7 Q9UHL4 1/20 0.39
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ TASP1 Q9H6P5 1/20 0.34
▸ MAGI3 Q5TCQ9 1/20 0.33
▸ PRCP P42785 1/20 0.33

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
SCHEMBL38658785 0.86 MAGI3 (0.44) RENDPP7MAPK8MAPK9MAPK10
SCHEMBL30242278 0.80 MEN1 (0.42) RENDPP7MAPK8MAPK9MAPK10
SCHEMBL38657878 0.79 CALCRL (0.43) RENDPP7MAPK8MAPK9MAPK10
SCHEMBL30496162 0.79 MEN1 (0.42) RENDPP7PRCP
SCHEMBL29723375 0.78 DPP7 (0.40) RENDPP7MAPK8MAPK9MAPK10
SCHEMBL38658073 0.78 CALCRL (0.45) RENMAPK8MAPK9MAPK10KEAP1
SCHEMBL31122253 0.78 CALCRL (0.45) RENDPP7MAPK8MAPK9MAPK10
SCHEMBL30658579 0.76 ENPEP (0.47) RENMAPK8MAPK9MAPK10
SCHEMBL30112831 0.76 DPP7 (0.41) RENDPP7KEAP1PRCP
SCHEMBL30197893 0.76 REN (0.42) RENDPP7PRCP

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-6900238-B1 HIV protease inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2005-05-31 — — US disclosed
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