SCHEMBL6204876

SCHEMBL6204876

CCCCCOc1cnc(-c2ccc(C(F)(F)F)cc2OC)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.50
SCN9A Q15858 13/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PDE2A O00408 1/20 0.38
SPR P35270 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL5430558 0.83 CRHR1 (0.55) CRHR1SCN9AALOX5APFEN1SPR
SCHEMBL6203432 0.81 CRHR1 (0.53) CRHR1SCN9ACNR1CNR2PDE2A
SCHEMBL6203641 0.79 CRHR1 (0.56) CRHR1SCN9ACNR1CNR2PDE2A
SCHEMBL6202311 0.79 CRHR1 (0.56) CRHR1SCN9ACNR1CNR2PDE2A
SCHEMBL6204123 0.79 CRHR1 (0.56) CRHR1SCN9ACNR1CNR2PDE2A
SCHEMBL6203030 0.72 CRHR1 (0.46) CRHR1SCN9ASPRLRRK2
SCHEMBL6202172 0.72 CRHR1 (0.46) CRHR1SCN9ACNR1CNR2SPR
SCHEMBL6202949 0.72 CRHR1 (0.46) CRHR1SCN9ACNR1CNR2SPR
SCHEMBL30374587 0.69 CRHR1 (0.52) CRHR1SCN9AALOX5APFEN1PDE2A
SCHEMBL26093033 0.69 CRHR1 (0.52) CRHR1SCN9AALOX5APFEN1PDE2A

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