SCHEMBL9003137

SCHEMBL9003137

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C#N

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.58
CTSK P43235 2/20 0.52
CTSS P25774 1/20 0.52
PREP P48147 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL5696186 1.00 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL8301687 1.00 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL5696187 1.00 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL5053509 1.00 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL3605568 1.00 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL3604300 0.97 DPP4 (0.58) DPP4CTSKCTSSPREPDPP8
SCHEMBL3612579 0.93 CTSK (0.54) DPP4CTSKCTSSPREPDPP8
SCHEMBL5047656 0.92 DPP4 (0.53) DPP4CTSKCTSSPREPDPP8
SCHEMBL5644618 0.89 DPP4 (0.62) DPP4PREPDPP8DPP9
SCHEMBL14602196 0.89 DPP4 (0.62) DPP4PREPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731789-A1 DP-IV-SERINE PROTEASE INHIBITORS FERRING B.V. (NL) 1996-09-18 EP disclosed