SCHEMBL4694546

SCHEMBL4694546

CCCCCc1cc(C)nn2c(-c3sc4cccnc4c3Cl)c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.39
CRHR2 Q13324 1/20 0.34
TLR8 Q9NR97 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4690722 0.86 CRHR1 (0.39) CRHR1
SCHEMBL4694319 0.85 CRHR1 (0.37) CRHR1CRHR2TLR8
SCHEMBL3972523 0.81 CRHR1 (0.58) CRHR1CRHR2ALDH1A1
SCHEMBL4690582 0.77 CRHR1 (0.53) CRHR1CRHR2
SCHEMBL4694389 0.77 CYP2A6 (0.36) CRHR1TLR8
SCHEMBL4787114 0.74 TLR8 (0.38) CRHR1CRHR2TLR8ALDH1A1
SCHEMBL4693619 0.73 CRHR1 (0.67) CRHR1CRHR2ALDH1A1
SCHEMBL4693477 0.73 CRHR1 (0.67) CRHR1CRHR2ALDH1A1
SCHEMBL4689862 0.72 CRHR1 (0.45) CRHR1
SCHEMBL4694406 0.72 CRHR1 (0.33) CRHR1

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