SCHEMBL8365663

SCHEMBL8365663

CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1(N)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.56
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ CMA1 P23946 9/20 0.48
▸ OPRM1 P35372 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
SCHEMBL5971091 0.86 ACE (0.59) ACEF2PRSS1KLK5CMA1
SCHEMBL17081787 0.84 ACE (0.56) ACEF2PRSS1KLK5CMA1
SCHEMBL10021917 0.84 ACE (0.56) ACEF2PRSS1KLK5CMA1
SCHEMBL10053455 0.84 ACE (0.56) ACEF2PRSS1KLK5CMA1
SCHEMBL7321218 0.82 ACE (0.60) ACEF2PRSS1KLK5CMA1
SCHEMBL28002552 0.81 KLK5 (0.69) ACEF2PRSS1KLK5CMA1
SCHEMBL7268512 0.81 KLK5 (0.69) ACEF2PRSS1KLK5CMA1
SCHEMBL28002546 0.81 KLK5 (0.69) ACEF2PRSS1KLK5CMA1
SCHEMBL12658455 0.81 KLK5 (0.69) ACEF2PRSS1KLK5CMA1
SCHEMBL8366819 0.79 DPP4 (0.58) ACEF2PRSS1KLK5OPRM1

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-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 — — WO disclosed
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