SCHEMBL6203029

SCHEMBL6203029

CCCCCNc1nc(CC)c(-c2ccc(C(C)C)nc2OC)nc1OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.46
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL6202569 0.90 CRHR1 (0.44) CRHR1TLR8TLR7
SCHEMBL6201923 0.89 CRHR1 (0.42) CRHR1TLR8TLR7
SCHEMBL6204988 0.85 CRHR1 (0.60) CRHR1TLR8TLR7
SCHEMBL6202370 0.82 CRHR1 (0.51) CRHR1
SCHEMBL5434333 0.81 CRHR1 (0.66) CRHR1
SCHEMBL6202256 0.80 FLT3 (0.37) CRHR1TLR8TLR7
SCHEMBL6200455 0.80 CRHR1 (0.41) CRHR1
SCHEMBL6204458 0.80 CRHR1 (0.41) CRHR1TLR8TLR7
SCHEMBL6203742 0.80 CRHR1 (0.42) CRHR1
SCHEMBL7474850 0.79 CRHR1 (0.46) CRHR1TLR8TLR7

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-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed