SCHEMBL2020673

SCHEMBL2020673

NCCCC[C@H](N)C(=O)OC(=O)CCCC(=O)C(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DPP7 Q9UHL4 8/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
DPP4 P27487 2/20 0.33
CPB2 Q96IY4 2/20 0.32
FOLH1 Q04609 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
FAP Q12884 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
SCHEMBL3457786 0.92 GSR (0.44) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL8950857 0.91 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL393523 0.88 GSR (0.38) GSRCYP1A2DPP7DPP8DPP9
SCHEMBL28782599 0.88 GSR (0.38) GSRCYP1A2DPP7DPP8DPP9
SCHEMBL1065054 0.87 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL8759024 0.87 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL3338905 0.85 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL8414157 0.85 GSR (0.41) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL14343195 0.85 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL28792808 0.85 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110158980-A1 METHODS TO TREAT AND SCREEN FOR AGENTS TO TREAT OBESITY TRUSTEES OF TUFTS COLLEGE (US) 2011-06-30 US disclosed
WO-2010019434-A1 METHODS TO TREAT AND SCREEN FOR AGENTS TO TREAT OBESITY TRUSTEES OF TUFTS COLLEGE (US) 2010-02-18 WO disclosed