SCHEMBL4694246

SCHEMBL4694246

CCCCCc1cc(C)nn2c(-c3c(C)sc4c(C(C)(C)C)cccc34)c(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
DCTPP1 Q9H773 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL4689722 0.85 CRHR1 (0.32) CRHR1DCTPP1TLR8
SCHEMBL3970627 0.81 CRHR1 (0.50) CRHR1
SCHEMBL4787114 0.73 TLR8 (0.38) CRHR1TLR8
SCHEMBL4694319 0.70 CRHR1 (0.37) CRHR1DCTPP1TLR8
SCHEMBL4689719 0.69 CRHR1 (0.49) CRHR1
SCHEMBL4694389 0.69 CYP2A6 (0.36) CRHR1TLR8
SCHEMBL4689714 0.68 CRHR1 (0.47) CRHR1
SCHEMBL4690582 0.67 CRHR1 (0.53) CRHR1
SCHEMBL4693619 0.67 CRHR1 (0.67) CRHR1
SCHEMBL4693477 0.67 CRHR1 (0.67) 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