SCHEMBL3780217

SCHEMBL3780217

NCCC[C@@H](N)C(=O)OC(=O)CCC(=O)OC(=O)[C@H](N)CCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
CYP1A2 P05177 2/20 0.39
DPP7 Q9UHL4 8/20 0.37
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
CPB2 Q96IY4 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL27972337 0.94 CYP1A2 (0.47) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL27489596 0.94 GSR (0.44) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL5010331 0.94 GSR (0.53) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL1191631 0.94 GSR (0.53) GSRCYP1A2DPP7DPP4DPP8
Water SCHEMBL5506402 0.92 GSR (0.42) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL8836895 0.92 GSR (0.52) GSRCYP1A2DPP7DPP4DPP8
Water SCHEMBL5501375 0.92 GSR (0.52) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL6850412 0.92 GSR (0.42) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL5532328 0.92 GSR (0.42) GSRCYP1A2DPP7DPP4DPP8
SCHEMBL8836488 0.92 GSR (0.52) GSRCYP1A2DPP7DPP4DPP8

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
CN-104829476-B Preparation method and application of L-ornithine succinate neutral salt 万红贵 2017-05-17 CN disclosed
CN-104829476-B Preparation method and application of L-ornithine succinate neutral salt 万红贵 2017-05-17 CN disclosed
CN-104829476-A Preparation method and application of L-ornithine succinate neutral salt WAN HONGGUI 2015-08-12 CN disclosed
CN-104829476-A Preparation method and application of L-ornithine succinate neutral salt WAN HONGGUI 2015-08-12 CN disclosed
US-7772280-B2 Crystals of L-ornithine and process for producing the same KYOWA HAKKO BIO CO., LTD. (JP) 2010-08-10 US disclosed
US-20090082594-A1 CRYSTALS OF L-ORNITHINE AND PROCESS FOR PRODUCING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed