SCHEMBL8666247

SCHEMBL8666247

CN[C@@H](CCCNC(=N)N)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NPY4R P50391 6/20 0.33
▸ NPY1R P25929 4/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ ATM Q13315 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ NPY5R Q15761 3/20 0.31
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL10676657 0.85 TDP1 (0.42) MEN1KMT2AGAAMAOAMAOB
SCHEMBL5847744 0.84 MEN1 (0.41) MEN1KMT2AGAAMAOAMAOB
SCHEMBL25411854 0.83 NPY4R (0.34) MEN1KMT2AGAANPY4RNPY1R
SCHEMBL160845 0.82 ALOX15 (0.36) MEN1KMT2ANPY4RNPY1RNPY2R
SCHEMBL8005035 0.81 NPY4R (0.43) MEN1KMT2ANPY4RNPY1RCA1
SCHEMBL23048407 0.81 NPY4R (0.43) MEN1KMT2ANPY4RNPY1RCA1
SCHEMBL13949746 0.81 NPY4R (0.43) MEN1KMT2ANPY4RNPY1RCA1
SCHEMBL15741905 0.80 NPY4R (0.32) MEN1KMT2AGAANPY4RNPY1R
Hydrochloric Acid SCHEMBL7303864 0.79 NPY4R (0.43) MEN1KMT2ANPY4RNPY1RNPY2R
Hydrochloric Acid SCHEMBL28825330 0.79 NPY4R (0.43) MEN1KMT2ANPY4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691986-B1 NOVEL PROCESSES AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PLATELET CLYCOPROTEIN IIb/IIIa INHIBITORS DU PONT MERCK PHARMA (US) 1998-12-02 — — EP disclosed
EP-0691986-A1 NOVEL PROCESSES AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PLATELET CLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 — — EP disclosed
WO-1994022909-A1 NOVEL PROCESSES AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PLATELET CLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — WO disclosed
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