SCHEMBL7908670

SCHEMBL7908670

CC(=N)OC(=O)[C@@H](N)CCCCNSc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.35
DPP7 Q9UHL4 3/20 0.35
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP4 P27487 1/20 0.33
KIF11 P52732 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
SIRT5 Q9NXA8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LTA4H P09960 1/20 0.32
MMP2 P08253 1/20 0.32
IDO1 P14902 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL7226623 0.82 METAP2 (0.39) DPP8DPP7ANPEPRNPEPDNPEP
SCHEMBL7911821 0.81 ALDH1A1 (0.38) DPP8DPP7ANPEPRNPEPDNPEP
SCHEMBL8821895 0.81 DPP8 (0.35) DPP8DPP7ANPEPRNPEPDNPEP
SCHEMBL7219251 0.80 DPP8 (0.43) DPP8DPP7ANPEPRNPEPDNPEP
SCHEMBL7220348 0.74 FOLH1 (0.42) SIRT5
SCHEMBL7224578 0.74 DPP7 (0.33) DPP7
SCHEMBL7225562 0.72 DPP7 (0.32) DPP7
SCHEMBL7220182 0.72 DPP7 (0.32) DPP7CA12CA1CA2CA9
SCHEMBL965913 0.70 GSR (0.50) DPP8DPP7RNPEPDPP9DPP4
SCHEMBL964384 0.68 GSR (0.42) DPP8DPP7KMT2ADPP9DPP4

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 2 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