SCHEMBL4694389

SCHEMBL4694389

CCCCCc1cc(C)nn2c(-c3cc4cccnc4s3)c(C)nc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
TLR8 Q9NR97 2/20 0.35
CRHR1 P34998 3/20 0.33
NPC1 O15118 1/20 0.33
SMPD3 Q9NY59 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4694319 0.81 CRHR1 (0.37) TLR8CRHR1NPC1PDE10A
SCHEMBL3965286 0.80 CRHR1 (0.52) CYP2A6CRHR1SMPD3
SCHEMBL4694546 0.77 CRHR1 (0.39) TLR8CRHR1
SCHEMBL4787114 0.77 TLR8 (0.38) TLR8CRHR1SMPD3
SCHEMBL4690722 0.75 CRHR1 (0.39) CRHR1
SCHEMBL10469274 0.70 CYP2A6 (0.59) CYP2A6TLR8NPC1
SCHEMBL4693232 0.69 ATP4A (0.35) TLR8SMPD3
SCHEMBL3935197 0.69 SMPD3 (0.35) CRHR1SMPD3
SCHEMBL4689722 0.69 CRHR1 (0.32) TLR8CRHR1
SCHEMBL4694246 0.69 CRHR1 (0.32) TLR8CRHR1

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