SCHEMBL4714441

SCHEMBL4714441

N#C[C@@H]1CSCN1C(=O)CNC1CCC(C(=O)n2cc3ccccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.44
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
PREP P48147 1/20 0.38

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
SCHEMBL4713428 0.84 DPP4 (0.51) DPP4DPP8DPP9PREP
SCHEMBL4713429 0.84 DPP4 (0.51) DPP4DPP8DPP9PREP
SCHEMBL4715300 0.84 DPP4 (0.65) DPP4DPP8DPP9PREP
SCHEMBL4712767 0.79 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL4712769 0.79 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL8268487 0.77 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL4711223 0.77 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL4711220 0.77 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL4711724 0.76 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL4711726 0.76 DPP4 (0.49) DPP4DPP8DPP9

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-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP claimed