SCHEMBL4690131

SCHEMBL4690131

CCCCCc1cc(C)nn2c(-c3cc4cc(CCl)ccc4[nH]3)c(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.32
PPARG P37231 2/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 5/20 0.31
TLR8 Q9NR97 3/20 0.31
KDM4E B2RXH2 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
SCHEMBL4692974 0.90 PPARG (0.32) PTGDR2PPARGFFAR1TLR8
SCHEMBL4787114 0.75 TLR8 (0.38) TLR8
SCHEMBL4694546 0.66 CRHR1 (0.39) TLR8
SCHEMBL4694406 0.65 CRHR1 (0.33)
SCHEMBL4690582 0.65 CRHR1 (0.53)
SCHEMBL4693232 0.65 ATP4A (0.35) TLR8KDM4E
SCHEMBL3935197 0.65 SMPD3 (0.35)
SCHEMBL4694389 0.65 CYP2A6 (0.36) TLR8
SCHEMBL4694319 0.64 CRHR1 (0.37) TLR8
SCHEMBL4695451 0.64 TLR8 (0.32) 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