SCHEMBL7777201

SCHEMBL7777201

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ GNPAT O15228 2/20 0.38
▸ C3AR1 Q16581 1/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ NPY4R P50391 6/20 0.36
▸ NPY5R Q15761 6/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ NPY2R P49146 3/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.34

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
SCHEMBL13410388 0.92 NPY4R (0.37) GNPATITGB3ITGA2BNPY4RNPY5R
SCHEMBL9112578 0.92 EPHX2 (0.39) EPHX2GNPATC3AR1ITGB3ITGA2B
SCHEMBL8500280 0.92 NPY4R (0.37) GNPATITGB3ITGA2BNPY4RNPY5R
SCHEMBL14089438 0.91 NPY4R (0.42) EPHX2GNPATC3AR1ITGB3ITGA2B
SCHEMBL10314456 0.90 GNPAT (0.42) EPHX2GNPATITGB3ITGA2BNPY4R
SCHEMBL17732656 0.90 GNPAT (0.47) EPHX2GNPATITGB3ITGA2BNPY4R
SCHEMBL29374961 0.88 NPY4R (0.38) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29405094 0.88 ITGB3 (0.38) EPHX2GNPATC3AR1ITGB3ITGA2B
SCHEMBL12646501 0.88 ITGB3 (0.38) EPHX2GNPATC3AR1ITGB3ITGA2B
SCHEMBL14114071 0.88 EPHX2 (0.47) EPHX2NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9476883-B2 Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 — — US disclosed
US-9476883-B2 Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-25 — — US disclosed
US-20140315220-A1 CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-10-23 — — US disclosed
US-20140315220-A1 CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-10-23 — — US disclosed
EP-1121378-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT Du Pont Pharmaceuticals Company (US) 2001-08-08 — — EP disclosed
WO-2000021982-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 — — WO disclosed
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