SCHEMBL30158417

SCHEMBL30158417

COC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.47
JAK1 P23458 1/20 0.45
HTR6 P50406 1/20 0.44
SCN9A Q15858 1/20 0.42
CNR1 P21554 2/20 0.42
NAMPT P43490 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 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
SCHEMBL26651022 1.00 PDK4 (0.47) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL30088583 0.85 PDK4 (0.48) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL26650792 0.85 PDK4 (0.48) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL19297080 0.83 PDK4 (0.58) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL19284668 0.79 PDK4 (0.61) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL4888709 0.79 CNR1 (0.53) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL30158364 0.79 JAK1 (0.42) PDK4JAK1HTR6SCN9ANAMPT
SCHEMBL26650717 0.79 JAK1 (0.42) PDK4JAK1HTR6SCN9ANAMPT
SCHEMBL12965676 0.78 GRM1 (0.52) PDK4JAK1HTR6SCN9ACNR1
SCHEMBL30158301 0.78 BACE1 (0.43) EEDRBBP4SUZ12EZH2

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-4110459-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING Remix Therapeutics Inc. (US) 2023-01-04 EP disclosed