SCHEMBL6809968

SCHEMBL6809968

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
CPB2 Q96IY4 3/20 0.41
DPP7 Q9UHL4 8/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
TLR2 O60603 2/20 0.36
DPP4 P27487 2/20 0.36
RNPEP Q9H4A4 1/20 0.35
CYP1A2 P05177 1/20 0.35
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL16194521 0.89 GSR (0.59) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL8995618 0.85 GNAI3 (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL10659244 0.84 GSR (0.50) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1404247 0.83 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL344574 0.83 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL20240364 0.83 GSR (0.61) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1484685 0.82 GNAI3 (0.53) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL8493192 0.82 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL3810133 0.82 GSR (0.52) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL3457786 0.82 GSR (0.44) GSRGNAI3GNAO1GNAI1CPB2

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-1061909-B1 KETO ACID SALTS AND AMINE DERIVATIVES, AND THEIR USE FOR PREPARING MEDICINES CHIESI S A (FR) 2002-06-05 EP claimed
US-20040127413-A1 Enteric keto acid and amino acid salts and their use for preparing medicines AVAYA TECHNOLOGY LLC 2004-07-01 US disclosed
US-6429229-B1 ADMINISTERING TO TREAT PATHOLOGIES ASSOCIATED WITH SILENT NEURONS (BLADDER, BILE DUCTS, AND DIGESTIVE SYSTEM) CHIESI S.A. (FR) 2002-08-06 US disclosed