SCHEMBL6603350

SCHEMBL6603350

CCCCCOc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)[n+]([O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
CRHR1 P34998 3/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
PDK2 Q15119 3/20 0.35
CHRM5 P08912 1/20 0.35
SCN9A Q15858 1/20 0.34
FFAR1 O14842 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NR1I2 O75469 1/20 0.33
PPARD Q03181 1/20 0.33
CTSA P10619 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
SCHEMBL6601464 0.87 CNR1 (0.38) CRHR1PDK2SCN9ACNR1CNR2
SCHEMBL4881349 0.82 CRHR1 (0.43) FFAR4CRHR1CHRM5SCN9ALMNA
SCHEMBL6609362 0.78 CRHR1 (0.46) FFAR4CRHR1PDK2SCN9ANR1I2
SCHEMBL6347201 0.76 SCN9A (0.37) FFAR4CRHR1SCN9ALMNAHTT
SCHEMBL6602770 0.72 CRHR1 (0.54) FFAR4CRHR1SCN9AFFAR1NR1I2
SCHEMBL6603304 0.71 CRHR1 (0.46) FFAR4CRHR1SCN9AFFAR1NR1I2
SCHEMBL6607143 0.71 CRHR1 (0.54) FFAR4CRHR1SCN9AFFAR1NR1I2
SCHEMBL6604201 0.70 CRHR1 (0.49) FFAR4CRHR1SCN9AFFAR1NR1I2
SCHEMBL4881385 0.69 CRHR1 (0.40) CRHR1SCN9ACTSA
SCHEMBL6205729 0.69 CRHR1 (0.55) FFAR4CRHR1SCN9AFFAR1

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