SCHEMBL6595076

SCHEMBL6595076

CCCC1(c2cc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc2OC)N=NN=N1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.52
SCN9A Q15858 1/20 0.35
RUNX1 Q01196 2/20 0.34
GPR3 P46089 2/20 0.33
CTSA P10619 1/20 0.32
IL1B P01584 1/20 0.32

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
SCHEMBL6602770 0.77 CRHR1 (0.54) CRHR1SCN9ARUNX1CTSA
SCHEMBL4882797 0.77 CRHR1 (0.56) CRHR1SCN9A
SCHEMBL4881389 0.77 CRHR1 (0.54) CRHR1
SCHEMBL4878756 0.77 CRHR1 (0.55) CRHR1SCN9ARUNX1GPR3
SCHEMBL4882896 0.76 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4882817 0.74 CRHR1 (0.59) CRHR1SCN9ARUNX1GPR3
SCHEMBL6343532 0.74 CRHR1 (0.55) CRHR1SCN9ARUNX1GPR3IL1B
SCHEMBL6356902 0.73 CRHR1 (0.52) CRHR1SCN9A
SCHEMBL4882799 0.73 CRHR1 (0.52) CRHR1SCN9ARUNX1GPR3
SCHEMBL4879256 0.72 CRHR1 (0.54) CRHR1SCN9ACTSA

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-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO disclosed