SCHEMBL6205812

SCHEMBL6205812

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.45
TLR8 Q9NR97 5/20 0.40
TLR7 Q9NYK1 4/20 0.40
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.34
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
CACNA2D1 P54289 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL6201923 0.81 CRHR1 (0.42) CRHR1TLR8TLR7
SCHEMBL6203740 0.81 CRHR1 (0.54) CRHR1
SCHEMBL7484320 0.81 CRHR1 (0.50) CRHR1TLR8TLR7
SCHEMBL5431282 0.80 CRHR1 (0.69) CRHR1
SCHEMBL6202450 0.79 CRHR1 (0.56) CRHR1TLR7
SCHEMBL6203258 0.76 CRHR1 (0.47) CRHR1TLR8TLR7CACNA2D1
SCHEMBL6203377 0.76 CRHR1 (0.53) CRHR1TLR7
SCHEMBL6203769 0.75 CRHR1 (0.39) CRHR1TLR8TLR7
SCHEMBL7477663 0.75 CRHR1 (0.45) CRHR1TLR8TLR7
SCHEMBL6203035 0.74 CRHR1 (0.51) 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