SCHEMBL3258336

SCHEMBL3258336

NC(=O)C1C[C@@H](O)CCN1C(=O)[CH]Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ADAM17 P78536 1/20 0.38
GRM2 Q14416 2/20 0.37
MAOA P21397 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
DPP4 P27487 3/20 0.36
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
AGTR2 P50052 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL3140691 1.00 MAOB (0.39) MAOBADAM17GRM2MAOAHTR1A
SCHEMBL3133531 0.88 DPP4 (0.38) MAOBADAM17MAOADPP4DPP8
SCHEMBL7368940 0.85 CCR3 (0.38) MAOBHTR1AHTR7DPP4FAP
SCHEMBL3145715 0.85 MAOB (0.37) MAOBGRM2HTR1AHTR7DPP4
SCHEMBL3136103 0.84 HTR1A (0.50) MAOBGRM2MAOAHTR1AHTR7
SCHEMBL6052882 0.82 SCN3A (0.41) MAOBADAM17HTR1AHTR7DPP4
SCHEMBL7371918 0.81 ADAM17 (0.49) MAOBADAM17MAOA
SCHEMBL3137156 0.81 GBA1 (0.37) MAOBHTR1AHTR7DPP4FAP
SCHEMBL3129734 0.81 GBA1 (0.37) MAOBHTR1AHTR7DPP4FAP
SCHEMBL6164036 0.80 MMP1 (0.42) MAOBADAM17MAOAHTR1AHTR7

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-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed