SCHEMBL21101960

SCHEMBL21101960

CN[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OC)cc12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 10/20 0.75
DPP4 P27487 2/20 0.60
DPP9 Q86TI2 1/20 0.60
FAP Q12884 10/20 0.58
DPP7 Q9UHL4 2/20 0.52

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
SCHEMBL26231103 0.89 PREP (0.77) PREPDPP4DPP9FAPDPP7
SCHEMBL15129913 0.86 PREP (1.00) PREPDPP4DPP9FAPDPP7
SCHEMBL29936567 0.86 PREP (1.00) PREPDPP4DPP9FAPDPP7
SCHEMBL15129912 0.86 PREP (1.00) PREPDPP4DPP9FAPDPP7
SCHEMBL21101295 0.83 PREP (0.68) PREPDPP4DPP9FAP
SCHEMBL25474208 0.79 PREP (0.64) PREPDPP4DPP9FAPDPP7
SCHEMBL30783512 0.79 PREP (0.87) PREPDPP4DPP9FAPDPP7
SCHEMBL27260380 0.79 PREP (0.87) PREPDPP4DPP9FAPDPP7
SCHEMBL27260394 0.79 PREP (0.87) PREPDPP4DPP9FAPDPP7
SCHEMBL26766414 0.78 PREP (0.62) PREPDPP4DPP9FAPDPP7

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-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed