SCHEMBL7218362

SCHEMBL7218362

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
ANPEP P15144 2/20 0.40
DPP9 Q86TI2 3/20 0.39
DPP4 P27487 2/20 0.39
LTA4H P09960 3/20 0.39
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A1 P43005 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7219251 0.84 DPP8 (0.43) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7428900 0.79 SLC1A1 (0.48) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7220224 0.76 METAP2 (0.36) DPP8DPP7ANPEPDPP9LTA4H
SCHEMBL7218360 0.76 FOLH1 (0.46)
SCHEMBL7908797 0.74 SMN1; SMN2 (0.36) DPP8DPP7NPC1RAB9AALDH1A1
SCHEMBL7296595 0.72 DPP8 (0.63) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL31134030 0.71 DPP8 (0.68) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL1696597 0.70 DPP8 (0.52) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL6356988 0.70 DPP8 (0.67) DPP8DPP7ANPEPDPP9DPP4
SCHEMBL7909560 0.70 NOS2 (0.32) DPP7

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