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Sugi Predict / Compounds / SCHEMBL10697532

SCHEMBL10697532

SCHEMBL10697532

CC(=O)C(N)C(F)(F)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.58
▸ PRSS1 P07477 1/20 0.58
▸ CMA1 P23946 18/20 0.56
▸ CTRC Q99895 4/20 0.54
▸ ACE P12821 1/20 0.49

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
SCHEMBL10445408 0.89 CMA1 (0.56) F2PRSS1CMA1CTRCACE
SCHEMBL10432383 0.88 F2 (0.57) F2PRSS1CMA1CTRCACE
SCHEMBL22962005 0.86 F2 (0.58) F2PRSS1CMA1CTRCACE
SCHEMBL22962350 0.84 F2 (0.57) F2PRSS1CMA1CTRCACE
SCHEMBL10432033 0.82 F2 (0.56) F2ACE
SCHEMBL10445601 0.82 F2 (0.55) F2PRSS1CMA1CTRCACE
SCHEMBL22962154 0.82 F2 (0.54) F2PRSS1CMA1CTRCACE
SCHEMBL29562010 0.81 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29560799 0.81 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL9815839 0.81 F2 (0.62) F2PRSS1CMA1CTRCACE

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
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 — — EP disclosed