SCHEMBL10589596

SCHEMBL10589596

NCC(=O)N1CCCC1C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.52
DPP4 P27487 5/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
BCHE P06276 3/20 0.44
DRD4 P21917 3/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
MAOB P27338 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL5575952 1.00 PREP (0.52) PREPDPP4DPP8DPP7BCHE
SCHEMBL7041303 0.83 PREP (0.45) PREPDPP4DPP7BCHEDRD4
SCHEMBL7610256 0.82 ALDH1A1 (0.42) DPP4DPP8DPP7KMT2AMEN1
SCHEMBL10589601 0.82 HTT (0.52) DPP4DPP8DPP7POLB
SCHEMBL380892 0.82 HTT (0.52) DPP4DPP8DPP7POLB
Hydrochloric Acid SCHEMBL3847558 0.81 ALDH1A1 (0.42) DPP4DPP8DPP7KMT2AMEN1
SCHEMBL4613460 0.80 NPSR1 (0.60) PREPHDAC1KMT2AMEN1MAPT
SCHEMBL9765534 0.80 PREP (0.53) PREPDPP4DPP8DPP7BCHE
SCHEMBL5264694 0.80 PREP (0.55) PREPBCHEDRD4SLC6A12SLC6A13
Glycyl Proline SCHEMBL28084582 0.76 ALDH1A1 (0.48) DPP4DPP8DPP7SMN1; SMN2

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-0330374-A2 Method for the colorimetric determination of DPP-IV using cinnamaldehyde PROTOTEK, INC., (US) 1989-08-30 EP disclosed