SCHEMBL7915415

SCHEMBL7915415

CC(=NCOC(=O)c1ccccc1)NCCCC[C@H](N)C(=O)OO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
SLC6A3 Q01959 2/20 0.36
ANPEP P15144 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SLC6A2 P23975 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A5 Q15758 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7915411 0.81 FOLH1 (0.39) TDP1SLC6A3SLC6A2KMT2AMMP2
SCHEMBL7901839 0.81 DPP7 (0.36) DPP7KMT2A
SCHEMBL7909552 0.79 DPP7 (0.35) DPP8DPP7DPP4DPP9
SCHEMBL7908779 0.78 DPP7 (0.34) DPP7
SCHEMBL7908800 0.75 TNF (0.41) TDP1KMT2A
SCHEMBL7225511 0.75 TNF (0.41) TDP1KMT2A
SCHEMBL7901702 0.74 DPP7 (0.41) DPP7
Hydrochloric Acid SCHEMBL8205619 0.74 NOS2 (0.42) TDP1KMT2A
Hydrochloric Acid SCHEMBL8205615 0.74 NOS2 (0.42) TDP1KMT2A
SCHEMBL7218978 0.70 SLC1A5 (0.41) TDP1KMT2ASLC1A5LMNAALDH1A1

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