SCHEMBL9601186

SCHEMBL9601186

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.56
PRSS1 P07477 1/20 0.56
CMA1 P23946 16/20 0.53
CTRC Q99895 4/20 0.53
ACE P12821 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47

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
SCHEMBL9815839 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29560799 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29562010 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL7371676 0.85 F2 (0.64) F2PRSS1CMA1CTRCACE
SCHEMBL11013687 0.85 F2 (0.60) F2PRSS1CMA1CTRCACE
SCHEMBL11013694 0.85 F2 (0.60) F2PRSS1CMA1CTRCACE
SCHEMBL29445785 0.83 F2 (0.53) F2PRSS1CMA1CTRCOPRM1
SCHEMBL9618661 0.81 CMA1 (0.58) F2PRSS1CMA1CTRCACE
SCHEMBL7760115 0.81 OPRM1 (0.50) OPRM1OPRK1
SCHEMBL8366341 0.80 F2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190862-A Peptide modified compound BOEHRINGER MANNHEIM GMBH (DE) 1993-03-02 US disclosed
US-5108890-A Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials BOEHRINGER MANNHEIM GMBH (DE) 1992-04-28 US disclosed