SCHEMBL17801068

SCHEMBL17801068

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4[nH]nc(Br)c4c3)n[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
TLR8 Q9NR97 5/20 0.45
TLR7 Q9NYK1 5/20 0.45
TLR9 Q9NR96 4/20 0.45
HPGDS O60760 1/20 0.44
CNR1 P21554 2/20 0.44
CHEK2 O96017 3/20 0.42
PRMT5 O14744 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL17801083 0.95 HPGDS (0.45) HTTTLR8TLR7TLR9HPGDS
SCHEMBL2731625 0.90 HPGDS (0.46) HTTTLR8TLR7TLR9HPGDS
SCHEMBL2731621 0.90 HPGDS (0.46) HTTTLR8TLR7TLR9HPGDS
SCHEMBL17801067 0.86 TLR9 (0.46) TLR8TLR7TLR9
SCHEMBL17801043 0.85 GPR119 (0.48) HTTTLR8TLR7TLR9HPGDS
SCHEMBL10069708 0.81 HPGDS (0.52) HTTHPGDSKDM4EMAPTTHRB
SCHEMBL1653375 0.81 CNR1 (0.53) HTTHPGDSCNR1KDM4EMAPT
SCHEMBL1653217 0.80 HPGDS (0.64) HTTHPGDSKDM4ETHRBMEN1
SCHEMBL10070506 0.79 HPGDS (0.53) HTTHPGDSKDM4EMAPTTHRB
SCHEMBL10070547 0.79 HPGDS (0.51) HTTHPGDSCNR1KDM4EMAPT

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed