SCHEMBL7041303

SCHEMBL7041303

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.45
DRD4 P21917 1/20 0.45
METAP2 P50579 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CCR1 P32246 1/20 0.42
F2 P00734 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
METAP1 P53582 1/20 0.41
HTRA1 Q92743 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL10589596 0.83 PREP (0.52) PREPDRD4GAADPP4DPP7
SCHEMBL5575952 0.83 PREP (0.52) PREPDRD4GAADPP4DPP7
SCHEMBL7418820 0.79 DPP4 (0.40) PREPDRD4METAP2DPP4DPP7
SCHEMBL22811264 0.77 ACE (0.57) PREPDRD4
SCHEMBL4613460 0.76 NPSR1 (0.60) PREPKDM4EALDH1A1RAB9A
SCHEMBL7982004 0.76 PREP (0.49) PREPALDH1A1HTRA1
SCHEMBL22209509 0.76 PREP (0.51) PREPDRD4CCR1
SCHEMBL22209410 0.76 CCR1 (0.57) PREPTAAR1CCR1
SCHEMBL18586228 0.76 CCR1 (0.57) PREPTAAR1CCR1
SCHEMBL8013574 0.75 TACR1 (0.46)

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-0754752-B1 Dipeptidyl peptidase IV and process for producing the same AJINOMOTO KK (JP) 2003-03-26 EP disclosed
EP-0754752-A2 Dipeptidyl peptidase IV and process for producing the same Ajinomoto Co., Inc. (JP) 1997-01-22 EP disclosed