SCHEMBL3989633

SCHEMBL3989633

CCCCOC(=O)NC(Cc1ccc(F)cc1)C(=O)N(C)C(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)C(=O)Nc1ccccn1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
MMP1 P03956 1/20 0.35
SCN9A Q15858 2/20 0.34
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL13796803 0.86 SCN9A (0.36) MMP1SCN9AGAA
SCHEMBL3991380 0.86 SCN9A (0.36) MMP1SCN9AGAA
SCHEMBL3989372 0.83 PTPRB (0.38) CTSKGAA
SCHEMBL3994576 0.81 ROCK2 (0.30)
SCHEMBL3989537 0.79 MMP1 (0.39) MMP1
SCHEMBL3994577 0.79
SCHEMBL3987520 0.74 CTSL (0.41) CTSK
SCHEMBL3989338 0.73 MMP1 (0.41) MMP1GAA
SCHEMBL4656090 0.72 CTSS (0.45) CTSKPTPN1
SCHEMBL4656092 0.72 CTSS (0.45) CTSKPTPN1

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
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed