SCHEMBL6205729

SCHEMBL6205729

CCCCCOc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.55
SCN9A Q15858 1/20 0.37
RUNX1 Q01196 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
PDE2A O00408 1/20 0.35
FFAR1 O14842 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
SCHEMBL6204110 0.86 CRHR1 (0.58) CRHR1SCN9ARUNX1
SCHEMBL6203432 0.86 CRHR1 (0.53) CRHR1SCN9APDE2A
SCHEMBL6203296 0.85 CRHR1 (0.57) CRHR1SCN9ARUNX1
SCHEMBL6202563 0.85 CRHR1 (0.57) CRHR1SCN9ARUNX1
SCHEMBL6603304 0.85 CRHR1 (0.46) CRHR1SCN9ARUNX1FFAR4FFAR1
SCHEMBL5445901 0.84 CRHR1 (0.62) CRHR1SCN9A
SCHEMBL6204281 0.81 CRHR1 (0.38) CRHR1
SCHEMBL6602770 0.80 CRHR1 (0.54) CRHR1SCN9ARUNX1FFAR4FFAR1
SCHEMBL6609362 0.79 CRHR1 (0.46) CRHR1SCN9ARUNX1FFAR4
SCHEMBL5417192 0.79 CRHR1 (0.62) CRHR1SCN9ARUNX1

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