SCHEMBL7945010

SCHEMBL7945010

NC(CCCCN(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.59
DPP8 Q6V1X1 3/20 0.59
DPP7 Q9UHL4 3/20 0.59
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
DPP4 P27487 2/20 0.55
DPP9 Q86TI2 2/20 0.55
CCR6 P51684 1/20 0.55
PAX8 Q06710 1/20 0.55
FOLH1 Q04609 5/20 0.53
HTT P42858 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
TGM2 P21980 1/20 0.49

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
SCHEMBL7945013 1.00 ANPEP (0.59) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL18560009 0.93 ANPEP (0.61) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL453671 0.90 DPP8 (0.69) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL464672 0.90 DPP8 (0.69) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL5816135 0.90 DPP8 (0.69) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL7944789 0.90 SLC1A3 (0.56) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL7947977 0.90 SLC1A3 (0.56) ANPEPDPP8DPP7SLC1A3SLC1A1
Hydrochloric Acid SCHEMBL7297967 0.89 DPP8 (0.68) ANPEPDPP8DPP7SLC1A3SLC1A1
Hydrochloric Acid SCHEMBL18770783 0.89 DPP8 (0.68) ANPEPDPP8DPP7SLC1A3SLC1A1
SCHEMBL7028548 0.89 DPP8 (0.68) ANPEPDPP8DPP7SLC1A3SLC1A1

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-6258931-B1 SYNTHESIZING DEOXYHYPUSINE DERIVATIVE BY USING ESTER OF DIPROTECTED LYSINE, DEBLOCKING ONE NITROGEN, CONDENSING WITH 3-CYANOPROPANAL, REDUCING TO A TRIAMINE, PROTECTING FREE AMINO GROUPS, DEBLOCKING AGAIN, AND ACYLATING THE FREE AMINO GROUP UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2001-07-10 US disclosed