SCHEMBL7220224

SCHEMBL7220224

CC(=NOc1ccccc1)OC(=O)[C@@H](N)CCCCNOc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.36
METAP1 P53582 5/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LTA4H P09960 5/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
KIF11 P52732 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP9 Q86TI2 2/20 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 0.84 METAP2 (0.39) METAP2METAP1POLBKMT2ATDP1
SCHEMBL7218362 0.76 DPP8 (0.41) LTA4HDPP8DPP7ANPEPRNPEP
SCHEMBL7908797 0.76 SMN1; SMN2 (0.36) POLBKMT2ADPP8DPP7
SCHEMBL7220221 0.75 FOLH1 (0.40)
SCHEMBL8223247 0.73 POLB (0.44) POLBKMT2ATDP1LTA4HDPP8
SCHEMBL8223251 0.73 POLB (0.44) POLBKMT2ATDP1LTA4HDPP8
SCHEMBL7909560 0.69 NOS2 (0.32) KMT2ADPP7
SCHEMBL7911821 0.69 ALDH1A1 (0.38) POLBKMT2ATDP1DPP8DPP7
SCHEMBL7219251 0.68 DPP8 (0.43) LTA4HDPP8DPP7ANPEPRNPEP
SCHEMBL7224733 0.68 TDP1 (0.36) KMT2ATDP1DPP8DPP7ANPEP

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