SCHEMBL24464264

SCHEMBL24464264

COc1cc(C(C)(C)O)ccc1NC(=O)c1cc(C)nn(-c2ccccc2OCC(F)F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.46
SCN9A Q15858 2/20 0.41
NR1I2 O75469 1/20 0.39
HPGD P15428 1/20 0.38
P2RY1 P47900 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SPR P35270 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
SCHEMBL29907559 1.00 UGCG (0.46) UGCGSCN9ANR1I2HPGDP2RY1
SCHEMBL29907661 0.92 UGCG (0.47) UGCGSCN9AHCRTR1HCRTR2KMT2A
SCHEMBL29907379 0.91 UGCG (0.46) UGCGSCN9AP2RY1HCRTR1HCRTR2
SCHEMBL29907631 0.88 UGCG (0.44) UGCGSCN9AP2RY1HCRTR1HCRTR2
SCHEMBL29601829 0.88 UGCG (0.59) UGCGP2RY1HCRTR1HCRTR2
SCHEMBL29907363 0.85 SCN9A (0.46) UGCGSCN9AP2RY1HTTKMT2A
SCHEMBL29907458 0.85 UGCG (0.47) UGCGSCN9AP2RY1HCRTR1HCRTR2
SCHEMBL29602191 0.85 UGCG (0.46) UGCGSCN9AHCRTR1HCRTR2
SCHEMBL29907424 0.83 UGCG (0.51) UGCGSCN9AP2RY1
SCHEMBL29907369 0.81 UGCG (0.62) UGCGSCN9AHCRTR1HCRTR2

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-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed