SCHEMBL7911960

SCHEMBL7911960

CC(=N)NCCCC[C@H](N)C(=O)OO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
RRM1 P23921 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
PAOX Q6QHF9 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33
OTC P00480 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
SCHEMBL7974902 0.89 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL14090886 0.89 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL2717436 0.86 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL6917505 0.85 DPP7 (0.40) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL8080773 0.84 GNAI3 (0.46) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL12619397 0.83 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL8067808 0.83 DPP7 (0.47) DPP7GNAI3GNAO1GNAI1RRM1
L-Nil SCHEMBL934874 0.81 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC
L-Nil SCHEMBL322091 0.81 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC
L-Nil SCHEMBL31540966 0.81 ARG2 (0.50) DPP7GNAI3GNAO1GNAI1OTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed