SCHEMBL5047656

SCHEMBL5047656

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(N)=O.CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.53
CTSK P43235 2/20 0.45
CTSS P25774 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
PREP P48147 2/20 0.44
POLB P06746 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CMA1 P23946 2/20 0.41

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
SCHEMBL3605568 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL5696187 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL8301687 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL5053509 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL9003137 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL5696186 0.92 DPP4 (0.58) DPP4CTSKCTSSDPP8DPP9
SCHEMBL3604870 0.91 POLB (0.48) CTSKCTSSPOLBCTSLCTSB
SCHEMBL5696171 0.91 POLB (0.48) CTSKCTSSPOLBCTSLCTSB
SCHEMBL5696170 0.91 POLB (0.48) CTSKCTSSPOLBCTSLCTSB
SCHEMBL27485070 0.91 POLB (0.48) CTSKCTSSPOLBCTSLCTSB

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
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed