SCHEMBL7909580

SCHEMBL7909580

CC(=NO)NCCCC[C@H](N)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
ATM Q13315 1/20 0.31
FOLH1 Q04609 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
RRM1 P23921 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
SCHEMBL7225433 0.82 GNAI3 (0.39) DPP7GNAI3GNAO1GNAI1CA1
SCHEMBL16862525 0.80 MEN1 (0.43) MEN1GAAKMT2ATDP1DPP7
SCHEMBL7225495 0.80 GNAI3 (0.42) DPP7GNAI3GNAO1GNAI1FOLH1
SCHEMBL7901702 0.80 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1CA1
SCHEMBL9073492 0.80 MEN1 (0.34) MEN1GAAKMT2ATDP1DPP7
SCHEMBL6837920 0.79 MEN1 (0.34) MEN1GAAKMT2A
SCHEMBL8193777 0.79 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1CA1
SCHEMBL7227344 0.79 GNAI3 (0.40) DPP7GNAI3GNAO1GNAI1CA1
SCHEMBL27262629 0.78 KDM4E (0.46) MEN1GAAKMT2ATDP1DPP7
SCHEMBL5847744 0.78 MEN1 (0.41) MEN1GAAKMT2ATDP1DPP7

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 4 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
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed