SCHEMBL7974904

SCHEMBL7974904

COC(=O)C(N)CCCCNCC=N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
LTA4H P09960 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
SLC15A1 P46059 1/20 0.32
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
GSR P00390 1/20 0.30

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
SCHEMBL3393527 0.84 DPP7 (0.35) DPP7GNAI3GNAO1GNAI1LTA4H
SCHEMBL7979845 0.83 CA12 (0.39) LTA4HCA1CA2CA12CA9
SCHEMBL6130709 0.82 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1LTA4H
SCHEMBL7974900 0.82 GSR (0.48) GSR
SCHEMBL934762 0.82 GSR (0.48) GSR
Hydrochloric Acid SCHEMBL7977023 0.81 GSR (0.47) GSR
Hydrochloric Acid SCHEMBL4424849 0.81 GSR (0.47) GSR
Hydrochloric Acid SCHEMBL7974008 0.81 GSR (0.47) GSR
Hydrochloric Acid SCHEMBL4581849 0.81 GSR (0.47) GSR
SCHEMBL23451025 0.80 ADH1B (0.41) DPP7GNAI3GNAO1GNAI1LTA4H

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