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Sugi Predict / Compounds / SCHEMBL24700306

SCHEMBL24700306

SCHEMBL24700306

CC(C)n1cc(CCC(=O)NCCCC[C@H](NC(=O)c2ccccccccccccc2)C(=O)NN)nn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2A Q12879 2/20 0.45
▸ TPSAB1 Q15661 2/20 0.43
▸ FOLH1 Q04609 7/20 0.42
▸ ALB P02768 4/20 0.41
▸ PARP14 Q460N5 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ MEF2D Q14814 1/20 0.38
▸ TGM2 P21980 1/20 0.38

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 0.91 FOLH1 (0.43) GRIN1GRIN2ATPSAB1FOLH1ALB
SCHEMBL24618010 0.91 FOLH1 (0.43) GRIN1GRIN2ATPSAB1FOLH1ALB
SCHEMBL24700100 0.81 GRIN1 (0.42) GRIN1GRIN2AFOLH1TGM2
SCHEMBL23771990 0.78 ALB (0.41) FOLH1ALBPARP14
SCHEMBL24700098 0.76 ALB (0.39) FOLH1ALB
SCHEMBL24618012 0.75 NR2F2 (0.41) FOLH1ALBPARP14
SCHEMBL24617914 0.72 GRIN1 (0.40) GRIN1GRIN2AFOLH1ALBTGM2
SCHEMBL24618033 0.72 GRIN1 (0.40) GRIN1GRIN2AFOLH1ALBTGM2
SCHEMBL24618034 0.72 GRIN1 (0.40) GRIN1GRIN2AFOLH1ALBTGM2
SCHEMBL24622267 0.72 GRIN1 (0.40) GRIN1GRIN2AFOLH1ALBTGM2

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
WO-2022195287-A9 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TREM2 BICYCLETX LIMITED (GB) 2022-10-20 — — WO disclosed