SCHEMBL29410344

SCHEMBL29410344

O=C(NC1CC(O)c2ccccc21)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PGR P06401 7/20 0.38
HTT P42858 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PARP1 P09874 2/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL8062901 1.00 GAA (0.40) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL18531736 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL15007192 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL19215849 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL15007184 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL1265760 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL14856082 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL25259047 0.85 TLR9 (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL16645216 0.85 TLR9 (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL25587333 0.83 CCR2 (0.39) LMNAPARP1

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
EP-4208448-A1 NOVEL COMPOUNDS NRG Therapeutics LTD (GB) 2023-07-12 EP disclosed
WO-2022049377-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2022-03-10 WO disclosed