SCHEMBL24618010

SCHEMBL24618010

CC(C)n1cc(CCC(=O)NCCCC[C@H](NC(=O)c2ccccccccc2)C(N)=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.43
PADI1 Q9ULC6 4/20 0.43
PADI4 Q9UM07 4/20 0.43
PDE4A P27815 3/20 0.43
PADI2 Q9Y2J8 3/20 0.43
PADI3 Q9ULW8 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PADI6 Q6TGC4 1/20 0.43
ALB P02768 3/20 0.42
TPSAB1 Q15661 2/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
PARP14 Q460N5 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL24618028 1.00 FOLH1 (0.43) FOLH1PADI1PADI4PDE4APADI2
SCHEMBL24700306 0.91 GRIN1 (0.45) FOLH1ALBTPSAB1GRIN1GRIN2A
SCHEMBL23771990 0.85 ALB (0.41) FOLH1ALBPARP14
SCHEMBL24700098 0.84 ALB (0.39) FOLH1ALB
SCHEMBL24617914 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A
SCHEMBL24618033 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A
SCHEMBL24622267 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A
SCHEMBL24617923 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A
SCHEMBL24618034 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A
SCHEMBL24617920 0.81 GRIN1 (0.40) FOLH1ALBGRIN1GRIN2A

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
WO-2022195287-A9 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TREM2 BICYCLETX LIMITED (GB) 2022-10-20 WO disclosed
WO-2022148970-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2022-07-14 WO disclosed