SCHEMBL7227262

SCHEMBL7227262

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
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
SMN1; SMN2 Q16637 1/20 0.32
FOLH1 Q04609 1/20 0.31
RRM1 P23921 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
OTC P00480 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
SCHEMBL7172385 0.83 NOS2 (0.50) DPP7NOS2NOS1NOS3CYP1A2
SCHEMBL7915399 0.83 NOS2 (0.50) DPP7NOS2NOS1NOS3CYP1A2
Hydrochloric Acid SCHEMBL7218895 0.82 NOS2 (0.51) DPP7NOS2NOS1NOS3CYP1A2
SCHEMBL7227260 0.79 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7901702 0.76 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7227064 0.76 NOD1 (0.50) DPP7GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL7227075 0.76 NOD1 (0.50) DPP7GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL8193777 0.75 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1TSHR
SCHEMBL7221219 0.75 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1NOS2
SCHEMBL7221210 0.75 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1NOS2

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 11 patents. 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
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
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
US-5981511-A AN ENZYME INHIBITOR FOR REDUCING NITRIC OXIDE, TREATING HYPOTENSION SUCH AS TOXIC SHOCK AND THERAPY WITH CERTAIN CYTOKINES G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed