SCHEMBL7219138

SCHEMBL7219138

C/C(=N\O)N(COC(=O)c1ccccc1)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
DPP7 Q9UHL4 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC1A5 Q15758 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
LNPEP Q9UIQ6 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL8821909 0.83 CPB2 (0.38) EPOR
SCHEMBL7218411 0.81 CPB2 (0.36) EPOR
SCHEMBL7225462 0.80 CPB2 (0.38) EPOR
SCHEMBL7219609 0.79 CPB2 (0.35) EPOR
SCHEMBL8710584 0.76 CDK5 (0.40) EPORF2DPP7
SCHEMBL8645811 0.73 DPP7 (0.41) EPORF2TDP1DPP7LMNA
SCHEMBL8645814 0.73 DPP7 (0.41) EPORF2TDP1DPP7LMNA
SCHEMBL7901710 0.73 SLC1A5 (0.41) TDP1LMNAALDH1A1TSHRSLC1A5
SCHEMBL8714819 0.72 CPB2 (0.43) TSHR
SCHEMBL1387731 0.70 F2 (0.49) EPORF2

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