SCHEMBL8540454

SCHEMBL8540454

NCCC[C@@H](N)C(=O)OC1=NCC(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.33
DPP7 Q9UHL4 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL313587 0.72 GSR (0.40) GSRDPP7DPP4DPP8DPP9
SCHEMBL997560 0.66 GSR (0.52) GSRDPP7DPP4DPP8DPP9
SCHEMBL29075853 0.66 GSR (0.52) GSRDPP7DPP4DPP8DPP9
SCHEMBL1537223 0.66 GSR (0.52) GSRDPP7DPP4DPP8DPP9
SCHEMBL1408946 0.64 GSR (0.50) GSRDPP7DPP4DPP8DPP9
SCHEMBL5037167 0.64 GSR (0.50) GSRDPP7DPP4DPP8DPP9
SCHEMBL1408948 0.64 GSR (0.50) GSRDPP7DPP4DPP8DPP9
SCHEMBL28747119 0.64 GSR (0.50) GSRDPP7DPP4DPP8DPP9
SCHEMBL20475718 0.64 GSR (0.47) GSRDPP7DPP4DPP8DPP9
SCHEMBL7899768 0.64 GSR (0.47) GSRDPP7DPP4DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504064-B1 Novel thrombin inhibitors MERRELL PHARMA INC (US) 1998-05-13 EP disclosed
US-5498779-A ANTICOAGULANTS AND TREATMENT OF ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1996-03-12 US disclosed
US-5391705-A Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed
EP-0504064-A1 Novel thrombin inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed