SCHEMBL6203377

SCHEMBL6203377

CCCCCNc1nc(C)c(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2OC)nc1OC

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.53
TP53 P04637 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL5432269 0.83 CRHR1 (0.76) CRHR1
SCHEMBL7472049 0.83 CRHR1 (0.56) CRHR1TLR7ADORA3
SCHEMBL7482544 0.82 CRHR1 (0.52) CRHR1TLR7
SCHEMBL7119050 0.79 CRHR1 (0.48) CRHR1TLR7ADORA3
SCHEMBL6201263 0.79 CRHR1 (0.62) CRHR1TLR7
SCHEMBL6203035 0.78 CRHR1 (0.51) CRHR1TLR7
SCHEMBL6202450 0.77 CRHR1 (0.56) CRHR1TLR7
SCHEMBL7606978 0.77 CRHR1 (0.59) CRHR1
SCHEMBL6203191 0.77 CRHR1 (0.46) CRHR1TLR7
SCHEMBL6202690 0.77 CRHR1 (0.46) CRHR1TLR7ADORA3

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