SCHEMBL7974902

SCHEMBL7974902

COC(=O)C(N)CCCCNC(C)=N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CA12 O43570 7/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
RRM1 P23921 1/20 0.37
NPY1R P25929 1/20 0.35
NPY4R P50391 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPK14 Q16539 1/20 0.34
PAOX Q6QHF9 2/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34

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
SCHEMBL14090886 1.00 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL12619397 0.95 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL7911960 0.89 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL2717436 0.87 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL4094683 0.87 NPY4R (0.44) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL941102 0.87 NPY4R (0.44) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL593995 0.86 KDM4E (0.52) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL27758729 0.86 KDM4E (0.52) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL8080773 0.86 GNAI3 (0.46) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL8082176 0.85 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1CA12

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-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed