SCHEMBL21101477

SCHEMBL21101477

C/N=C1/CCCN1C(=O)CNC(=O)c1ccnc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.61
DPP4 P27487 2/20 0.45
DPP9 Q86TI2 2/20 0.45
FAP Q12884 11/20 0.41
DPP8 Q6V1X1 1/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL21101294 0.83 PREP (0.69) PREPDPP4DPP9FAPTRPV1
SCHEMBL15138749 0.76 PREP (1.00) PREPDPP4DPP9FAP
SCHEMBL16267531 0.76 PREP (1.00) PREPDPP4DPP9FAP
SCHEMBL21101295 0.72 PREP (0.68) PREPDPP4DPP9FAP
SCHEMBL15129852 0.68 LMNA (0.68) PREPTRPV1
SCHEMBL26231103 0.68 PREP (0.77) PREPDPP4DPP9FAP
SCHEMBL23760562 0.68 LMNA (0.64) PREPDPP4DPP9FAP
SCHEMBL25499296 0.67 DPP9 (0.58) PREPDPP4DPP9FAPDPP8
SCHEMBL21101486 0.67 PREP (0.67) PREPFAP
SCHEMBL21101960 0.67 PREP (0.75) PREPDPP4DPP9FAP

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