SCHEMBL8397145

SCHEMBL8397145

CO[C@H](C(C(=O)O)C(C)(C)C)[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
SLC7A5 Q01650 1/20 0.35
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL15522076 0.88 DPP4 (0.35) DPP4SLC7A5
SCHEMBL17138262 0.78 DPP4 (0.31) DPP4
SCHEMBL8393454 0.76
SCHEMBL7068189 0.69 CYP2D6 (0.35) DPP4
SCHEMBL6610087 0.67 SLC7A5 (0.34) DPP4SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL16054205 0.67 SLC7A5 (0.52) DPP4SLC7A5SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL16863554 0.66 SLC7A5 (0.50) DPP4SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL8410738 0.64
SCHEMBL24200992 0.63 DPP4 (0.33) DPP4
SCHEMBL2059189 0.62 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1

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
EP-0915908-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed
WO-1998004581-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 WO disclosed