SCHEMBL7219251

SCHEMBL7219251

CC(=N)OC(=O)[C@@H](N)CCCCNOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
ANPEP P15144 2/20 0.42
DPP9 Q86TI2 3/20 0.41
DPP4 P27487 2/20 0.41
LTA4H P09960 3/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL7218362 0.84 DPP8 (0.41) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7226623 0.83 METAP2 (0.39) DPP8DPP7ANPEPDPP9LTA4H
SCHEMBL7428900 0.82 SLC1A1 (0.48) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7911821 0.82 ALDH1A1 (0.38) DPP8DPP7ANPEPRNPEPDNPEP
SCHEMBL7908670 0.80 DPP8 (0.35) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7219248 0.76 FOLH1 (0.49)
Hydrochloric Acid SCHEMBL7975011 0.76 DPP8 (0.53) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7224578 0.76 DPP7 (0.33) DPP7
SCHEMBL7296595 0.75 DPP8 (0.63) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL31134030 0.74 DPP8 (0.68) DPP8DPP7ANPEPDPP9DPP4

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-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