SCHEMBL7225562

SCHEMBL7225562

CNC(=O)ONCCCC[C@H](N)C(=O)OC(C)=N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 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
SCHEMBL7224578 0.86 DPP7 (0.33) DPP7GNAI3GNAO1GNAI1
SCHEMBL7220182 0.83 DPP7 (0.32) DPP7GNAI3GNAO1GNAI1
SCHEMBL7218266 0.83 NOS2 (0.31)
SCHEMBL8821862 0.80 DPP7 (0.31) DPP7GNAI3GNAO1GNAI1
SCHEMBL7911821 0.77 ALDH1A1 (0.38) DPP7
SCHEMBL965913 0.76 GSR (0.50) DPP7GNAI3GNAO1GNAI1
SCHEMBL7226623 0.76 METAP2 (0.39) DPP7
SCHEMBL964384 0.74 GSR (0.42) DPP7GNAI3GNAO1GNAI1
SCHEMBL7219251 0.74 DPP8 (0.43) DPP7
Hydrochloric Acid SCHEMBL28698703 0.72 GSR (0.41) DPP7GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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