SCHEMBL7051119

SCHEMBL7051119

C=CC(=O)N(C)C(C)C#N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TSHR P16473 1/20 0.31
BCL2A1 Q16548 1/20 0.31

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
SCHEMBL2478563 0.81 ZDHHC20 (0.39) DPP4ZDHHC20ZDHHC2TSHR
SCHEMBL16776783 0.75 TSHR (0.37) TSHRBCL2A1
SCHEMBL308456 0.75
SCHEMBL1864607 0.75 ZDHHC20 (0.38) DPP4ZDHHC20ZDHHC2TSHR
SCHEMBL5763404 0.73
SCHEMBL646634 0.73
SCHEMBL2654969 0.72 DPP4 (0.52) DPP4
SCHEMBL27473218 0.71 TSHR (0.34) TSHRBCL2A1
SCHEMBL8415448 0.71
SCHEMBL2813812 0.71 DPP4 (0.46) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605270-B1 Removing iron from patient by orally administering therapeutically effective amount of polymer characterized by specified repeat unit, or heteropolymer thereof GENZYME CORPORATION 2003-08-12 US disclosed
EP-0699072-B1 USE OF IRON-BINDING POLYMERS FOR THE MANUFACTURE OF A MEDICAMENT FOR ORAL ADMINISTRATION GELTEX PHARMA INC (US) 2003-04-23 EP disclosed
US-5702696-A FOR TREATMENT OF IRON OVERLOAD DISORDERS GELTEX PHARMACEUTICALS (US) 1997-12-30 US disclosed
US-5487888-A Iron-binding polymers for oral administration GELTEX, INC. (US) 1996-01-30 US disclosed
WO-1994027621-A1 IRON-BINDING POLYMERS FOR ORAL ADMINISTRATION GELTEX, INC. (US) 1994-12-08 WO disclosed