SCHEMBL8004063

SCHEMBL8004063

CC(C)(C)OC(=O)N1CCC(CNCC(O)CNC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.46
HTR3A P46098 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL5318283 0.86 KDM4E (0.49) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL505934 0.83 HTR4 (0.49) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL505936 0.83 HTR4 (0.49) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL24001298 0.81 HTR4 (0.65) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL3402337 0.81 HTR4 (0.46) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL3408647 0.81 HTR4 (0.46) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL1502009 0.81 HTR4 (0.46) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL28891389 0.80 HTR4 (0.50) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL19888414 0.79 HTR4 (0.48) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8508373 0.77 HTR4 (0.46) HTR4HTR3AHTR1AADRA2CACHE

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
WO-2009104729-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-08-27 WO disclosed