SCHEMBL8201070

SCHEMBL8201070

CCOC(=O)[C@H](CCCCNC(C)=NO)NC(=O)[C@@H](N)CCCCNC(C)=N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.39
DPP7 Q9UHL4 3/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
NPY4R P50391 7/20 0.37
NPY1R P25929 5/20 0.37
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
RRM1 P23921 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
NRP1 O14786 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL7218389 0.88 NOD1 (0.46) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL7218393 0.88 NOD1 (0.46) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL7227064 0.81 NOD1 (0.50) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL7227075 0.81 NOD1 (0.50) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL8193777 0.81 DPP7 (0.43) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL8224459 0.77 SIRT6 (0.40) NOD1SIRT6SIRT1POLBKMT2A
SCHEMBL8080773 0.77 GNAI3 (0.46) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL8201903 0.76 KMT2A (0.49) NOD1SIRT6SIRT1POLBKMT2A
SCHEMBL8193137 0.76 SIRT1 (0.39) NOD1SIRT6SIRT1POLBKMT2A
SCHEMBL8206011 0.75 DRD1 (0.46) SIRT6SIRT1

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
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed