SCHEMBL9699165

SCHEMBL9699165

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 16/20 0.65
ACE P12821 1/20 0.57
CTRC Q99895 2/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PREP P48147 2/20 0.54

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
SCHEMBL9699161 1.00 CMA1 (0.65) CMA1ACECTRCF2PRSS1
SCHEMBL9699084 0.93 CMA1 (0.67) CMA1ACECTRCF2PRSS1
SCHEMBL9699092 0.93 CMA1 (0.67) CMA1ACECTRCF2PRSS1
SCHEMBL9700520 0.92 CMA1 (0.58) CMA1ACECTRCPREP
SCHEMBL9700519 0.92 CMA1 (0.58) CMA1ACECTRCPREP
SCHEMBL9699156 0.91 CMA1 (0.58) CMA1ACEF2PRSS1PREP
SCHEMBL9699162 0.91 CMA1 (0.58) CMA1ACEF2PRSS1PREP
SCHEMBL21704495 0.90 CMA1 (0.56) CMA1ACECTRCF2PRSS1
SCHEMBL4452582 0.88 CMA1 (0.65) CMA1ACECTRCF2PRSS1
SCHEMBL23894836 0.87 CMA1 (0.54) CMA1ACECTRCF2PRSS1

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-1992004370-A1 MODIFIED DI- AND TRIPEPTIDYL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-03-19 WO claimed