SCHEMBL6609362

SCHEMBL6609362

CCCCCOc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.46
RUNX1 Q01196 2/20 0.43
FFAR4 Q5NUL3 1/20 0.40
PPARD Q03181 1/20 0.37
PDK2 Q15119 2/20 0.37
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 1/20 0.36
NR1I2 O75469 1/20 0.36
GPR3 P46089 1/20 0.36

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 0.83 CRHR1 (0.54) CRHR1RUNX1FFAR4SCN9ANR1I2
SCHEMBL4884766 0.83 CRHR1 (0.51) CRHR1RUNX1SCN9ACYP1A2GPR3
SCHEMBL6607143 0.82 CRHR1 (0.54) CRHR1RUNX1FFAR4SCN9ANR1I2
SCHEMBL6603304 0.82 CRHR1 (0.46) CRHR1RUNX1FFAR4SCN9ANR1I2
SCHEMBL6604201 0.81 CRHR1 (0.49) CRHR1RUNX1FFAR4SCN9ANR1I2
SCHEMBL4884652 0.79 CRHR1 (0.46) CRHR1RUNX1SCN9ACYP1A2GPR3
SCHEMBL6205729 0.79 CRHR1 (0.55) CRHR1RUNX1FFAR4SCN9A
SCHEMBL6603350 0.78 FFAR4 (0.38) CRHR1FFAR4PPARDPDK2SCN9A
SCHEMBL6204110 0.78 CRHR1 (0.58) CRHR1RUNX1SCN9ANR1I2
SCHEMBL6203296 0.77 CRHR1 (0.57) CRHR1RUNX1SCN9ANR1I2

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-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 WO disclosed