SCHEMBL7264465

SCHEMBL7264465

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ ACE P12821 1/20 0.42
▸ CMA1 P23946 13/20 0.42
▸ TRHR P34981 2/20 0.41
▸ CTRC Q99895 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2536244 0.87 TRHR (0.49) F2PRSS1ACETRHR
SCHEMBL7273358 0.83 ACE (0.49) PRSS1ACECMA1TRHR
SCHEMBL10826474 0.80 CMA1 (0.58) F2PRSS1ACECMA1CTRC
SCHEMBL7355585 0.80 F2 (0.54) F2PRSS1ACECMA1CTRC
SCHEMBL29566322 0.80 CMA1 (0.53) F2PRSS1ACECMA1CTRC
SCHEMBL10826434 0.80 CMA1 (0.58) F2PRSS1ACECMA1CTRC
SCHEMBL28392404 0.80 F2 (0.47) F2PRSS1ACECMA1CTRC
SCHEMBL18103316 0.80 F2 (0.47) F2PRSS1ACECMA1CTRC
SCHEMBL11415874 0.78 REN (0.49) CMA1
SCHEMBL11415880 0.78 REN (0.49) CMA1

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-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
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