SCHEMBL4693232

SCHEMBL4693232

CCCCCc1cc(C)nn2c(-c3c(C)nc4c(CCCO)cccn34)c(C)nc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
TLR8 Q9NR97 4/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PSEN1 P49768 4/20 0.31
PSEN2 P49810 4/20 0.31
APH1B Q8WW43 4/20 0.31
NCSTN Q92542 4/20 0.31
APH1A Q96BI3 4/20 0.31
PSENEN Q9NZ42 4/20 0.31
SMPD3 Q9NY59 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4693231 0.84 CRHR1 (0.45) ATP4AATP4BNR1I2HSD11B1NR1H2
SCHEMBL4695451 0.84 TLR8 (0.32) TLR8SMPD3
SCHEMBL4787114 0.80 TLR8 (0.38) TLR8SMPD3
SCHEMBL4689722 0.73 CRHR1 (0.32) TLR8
SCHEMBL4694389 0.69 CYP2A6 (0.36) TLR8SMPD3
SCHEMBL4695617 0.69 OPRL1 (0.34) TLR8
SCHEMBL3935197 0.67 SMPD3 (0.35) SMPD3
SCHEMBL4689715 0.66 CRHR1 (0.31) TLR8
SCHEMBL4694546 0.66 CRHR1 (0.39) TLR8
SCHEMBL4694319 0.66 CRHR1 (0.37) TLR8

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed