SCHEMBL6203918

SCHEMBL6203918

COc1ccc(C(N)c2cnc(-c3ccc(OC(F)(F)F)cc3OC)c(OC)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.48
RUNX1 Q01196 2/20 0.44
SCN9A Q15858 2/20 0.38
CTSA P10619 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
GPR3 P46089 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ALPL P05186 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL6203416 0.82 RUNX1 (0.40) CRHR1RUNX1SCN9ACTSAALPL
SCHEMBL6202812 0.80 CRHR1 (0.62) CRHR1RUNX1CTSA
SCHEMBL6203375 0.80 CRHR1 (0.45) CRHR1RUNX1SCN9ACTSA
SCHEMBL5409117 0.77 CRHR1 (0.48) CRHR1RUNX1SCN9ACTSAALPL
SCHEMBL5417862 0.76 CRHR1 (0.49) CRHR1RUNX1SCN9A
SCHEMBL7160526 0.75 CRHR1 (0.46) CRHR1RUNX1SCN9AALDH1A1GAA
SCHEMBL5409112 0.74 CRHR1 (0.50) CRHR1RUNX1SCN9ACTSAALPL
SCHEMBL5420406 0.74 CRHR1 (0.68) CRHR1RUNX1SCN9A
SCHEMBL5409786 0.73 CRHR1 (0.47) CRHR1RUNX1SCN9ACTSAALDH1A1
SCHEMBL6204014 0.73 RUNX1 (0.40) CRHR1RUNX1SCN9ACTSA

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 4 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 disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO disclosed