SCHEMBL13864508

SCHEMBL13864508

C=CC(=O)[C@@H](N)CCCCN

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.59
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DPP7 Q9UHL4 10/20 0.41
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 5/20 0.41
DPP4 P27487 4/20 0.41
CPB2 Q96IY4 2/20 0.38
FAP Q12884 1/20 0.37
MMP2 P08253 1/20 0.36

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
SCHEMBL29120728 1.00 GSR (0.59) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL4442128 0.98 GSR (0.57) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL6118792 0.91 GSR (0.44) GSR
SCHEMBL9288121 0.86 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL10777144 0.84
SCHEMBL28230635 0.83 GSR (0.59) GSRGNAI3GNAO1GNAI1RNPEP
Hydrochloric Acid SCHEMBL27592703 0.82 GSR (0.37) GSRDPP7DPP8DPP9DPP4
Iodide SCHEMBL8504650 0.82 GSR (0.37) GSRDPP7DPP8DPP9DPP4
Lysine SCHEMBL28520628 0.82 GSR (0.77) GSRRNPEPCPB2
SCHEMBL9194775 0.81 GSR (0.57) GSRGNAI3GNAO1GNAI1RNPEP

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
US-7527946-B2 Interferon-beta-1a-immunoglobulin fusion proteins and uses BIOGEN IDEC MA INC., (US) 2009-05-05 US disclosed