SCHEMBL13314435

SCHEMBL13314435

C#CCOC(=O)C(N)CCCCN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
DPP7 Q9UHL4 11/20 0.36
DPP8 Q6V1X1 6/20 0.36
DPP9 Q86TI2 6/20 0.36
DPP4 P27487 5/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CPB2 Q96IY4 1/20 0.36
FAP Q12884 1/20 0.33
NPC1 O15118 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
SCHEMBL419142 1.00 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL13314437 0.95 GSR (0.42) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29410188 0.82 GSR (0.46) GSRSLC1A3SLC1A2SLC1A1
SCHEMBL28945063 0.82 GSR (0.46) GSRSLC1A3SLC1A2SLC1A1
SCHEMBL3275066 0.80 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL20945414 0.80 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL20945380 0.79 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL21590082 0.78 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1NPC1
SCHEMBL21590074 0.78 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1NPC1
SCHEMBL1003011 0.77 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198283-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2017-07-13 US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 US disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 US disclosed
US-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed