SCHEMBL9603601

SCHEMBL9603601

C=CCC(=O)N1CCNC(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.36
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MGLL Q99685 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL4971017 0.77 FAAH (0.39) FAAHNAAAALDH1A1POLBGAA
SCHEMBL11076055 0.77 FAAH (0.46) FAAHNAAAALDH1A1POLBGAA
SCHEMBL8718626 0.77 FAAH (0.39) FAAHNAAAALDH1A1POLBGAA
SCHEMBL912170 0.72 ALDH1A1 (0.40) FAAHNAAAALDH1A1POLBGAA
SCHEMBL9781917 0.71 ALDH1A1 (0.40) FAAHNAAAALDH1A1POLBGAA
SCHEMBL5529311 0.71 NPSR1 (0.41) FAAHNAAAALDH1A1POLBGAA
SCHEMBL417979 0.71 NPSR1 (0.37) FAAHNAAAALDH1A1POLBGAA
SCHEMBL8166868 0.71 NPSR1 (0.37) FAAHNAAAALDH1A1POLBGAA
SCHEMBL1243795 0.69 HDAC3 (0.37) ALDH1A1POLBGAANPSR1
SCHEMBL29654087 0.68 NPSR1 (0.35) FAAHNAAAALDH1A1POLBGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP claimed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US claimed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP claimed
JP-54106490-A None JP disclosed
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed
JP-S54106490-A PROPARGYLGLYCINE DERIVATIVE AND ITS PREPARATION NIPPON CHEMIPHAR CO LTD 1979-08-21 JP disclosed