SCHEMBL5163390

SCHEMBL5163390

CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C(F)(F)F)cc2N)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
ALOX5AP P20292 4/20 0.49
FEN1 P39748 4/20 0.49
CHEK2 O96017 1/20 0.47
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
MAPT P10636 1/20 0.43
PDE4B Q07343 1/20 0.41
ACKR3 P25106 1/20 0.41
LIPE Q05469 1/20 0.41
GLS O94925 1/20 0.41
HTR6 P50406 1/20 0.41
RBP4 P02753 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL5162273 1.00 SCN9A (0.54) SCN9AALOX5APFEN1CHEK2BACE1
SCHEMBL5068253 1.00 SCN9A (0.54) SCN9AALOX5APFEN1CHEK2BACE1
SCHEMBL27681575 0.87 PTGDR2 (0.43) RBP4
SCHEMBL27700745 0.87 PTGDR2 (0.43) RBP4
SCHEMBL27681576 0.87 PTGDR2 (0.43) RBP4
SCHEMBL5163789 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL5163780 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL5166008 0.85 SCN9A (0.51) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL4510756 0.84 CHEK2 (0.55) SCN9AALOX5APFEN1CHEK2MAPT
SCHEMBL13122449 0.84 CHEK2 (0.55) SCN9AALOX5APFEN1CHEK2MAPT

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-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 EP disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 WO disclosed