SCHEMBL7901839

SCHEMBL7901839

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
NOS2 P35228 5/20 0.33
NOS1 P29475 4/20 0.33
NOS3 P29474 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
RRM1 P23921 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
PAOX Q6QHF9 2/20 0.31

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
SCHEMBL7909552 0.87 DPP7 (0.35) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7908779 0.86 DPP7 (0.34) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7901702 0.82 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7915415 0.81 DPP8 (0.37) DPP7KMT2A
SCHEMBL7901824 0.76 FOLH1 (0.42) KDM4EMAPK1HIF1A
SCHEMBL7911960 0.76 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1KDM4E
SCHEMBL593995 0.74 KDM4E (0.52) DPP7GNAI3GNAO1GNAI1KDM4E
SCHEMBL27758729 0.74 KDM4E (0.52) DPP7GNAI3GNAO1GNAI1KDM4E
Hydrochloric Acid SCHEMBL2401985 0.72 KDM4E (0.50) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL6917505 0.71 DPP7 (0.40) DPP7GNAI3GNAO1GNAI1CYP1A2

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 2 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