SCHEMBL14190801

SCHEMBL14190801

N=C(N)NCCCC(N)C(=O)N[C@@H](CO)CCCN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
DPP7 Q9UHL4 4/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP4 P27487 1/20 0.40
NPY4R P50391 11/20 0.39
NPY1R P25929 6/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
RRM1 P23921 1/20 0.38
NOS1 P29475 1/20 0.38
DDAH1 O94760 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
SCHEMBL15417443 0.82 DPP7 (0.43) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL30764780 0.81 NPY4R (0.46) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL30595015 0.81 NPY4R (0.46) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL17985758 0.80 GNAI3 (0.41) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL17793211 0.80 GNAI3 (0.41) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL19362563 0.79 GNAI3 (0.66) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL31467756 0.78 NPY4R (0.53) GNAI3GNAO1GNAI1DPP7DPP8
Arginine SCHEMBL23235587 0.78 GSR (0.56) GNAI3GNAO1GNAI1NOS1DDAH1
SCHEMBL17301799 0.78 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7NPY4R
Arginine SCHEMBL769418 0.78 GSR (0.56) GNAI3GNAO1GNAI1NOS1DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075968-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-06-26 WO disclosed