SCHEMBL21101281

SCHEMBL21101281

N=CC1CCCN1C(=O)CNC(=O)c1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.71
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
DPP4 P27487 2/20 0.46
FAP Q12884 2/20 0.46
KDM2B Q8NHM5 1/20 0.46
F10 P00742 2/20 0.45
PLG P00747 2/20 0.45
PRSS1 P07477 2/20 0.45
F2 P00734 1/20 0.45
METTL3 Q86U44 1/20 0.45
CXCR4 P61073 1/20 0.44
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL16267642 0.83 PREP (1.00) PREPFAP
SCHEMBL15138952 0.83 PREP (1.00) PREPFAP
SCHEMBL22811035 0.82 PREP (0.69) PREPCHRNB2CHRNA7CHRNA4FAP
SCHEMBL771034 0.75 PREP (0.59) PREPCHRNB2CHRNA7CHRNA4KDM2B
SCHEMBL5309154 0.73 MGAM (0.62) PREPHPGDS
SCHEMBL13113540 0.72 MGAM (0.56) PREPHPGDS
SCHEMBL18848580 0.71 PREP (0.55) PREPHPGDS
SCHEMBL28071107 0.71 PLD1 (0.62) PLD2PLD1
SCHEMBL2639342 0.69 PPARD (0.57) PREPPLD2PLD1HPGDS
SCHEMBL31458376 0.69 TAOK1 (0.79)

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