SCHEMBL5819684

SCHEMBL5819684

CC(C)N1CCN(c2ccc(-c3ccc(C4CCCCC4)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
HRH3 Q9Y5N1 9/20 0.42
DGAT1 O75907 1/20 0.42
EZH1 Q92800 1/20 0.41
HDAC4 P56524 1/20 0.41
ACVR1 Q04771 1/20 0.41
RET P07949 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
SCHEMBL1743020 0.80 HDAC4 (0.40) TLR9TLR8TLR7HRH3HDAC4
SCHEMBL12159751 0.79 TLR9 (0.48) TLR9TLR8TLR7HRH3HDAC4
SCHEMBL1742758 0.79 TLR9 (0.52) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1744089 0.79 CNR2 (0.49) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1742814 0.79 HRH3 (0.52) TLR9TLR8TLR7HRH3HDAC4
SCHEMBL15166541 0.77 TLR9 (0.55) TLR9TLR8TLR7HRH3HDAC4
SCHEMBL6616137 0.77 MAPT (0.56) HRH3HDAC4
SCHEMBL27903431 0.77 TLR9 (0.43) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1742225 0.77 HRH3 (0.51) HRH3
SCHEMBL1742769 0.76 HRH3 (0.54) TLR9TLR8TLR7HRH3ACVR1

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-2006120349-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed