SCHEMBL6602770

SCHEMBL6602770

CCCCCOc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.54
SCN9A Q15858 1/20 0.38
RUNX1 Q01196 2/20 0.37
NR1I2 O75469 1/20 0.37
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.36
GRM7 Q14831 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL6607143 0.91 CRHR1 (0.54) CRHR1SCN9ARUNX1NR1I2FFAR4
SCHEMBL6603304 0.89 CRHR1 (0.46) CRHR1SCN9ARUNX1NR1I2FFAR4
SCHEMBL6604201 0.87 CRHR1 (0.49) CRHR1SCN9ARUNX1NR1I2FFAR4
SCHEMBL6609362 0.83 CRHR1 (0.46) CRHR1SCN9ARUNX1NR1I2FFAR4
SCHEMBL5417192 0.82 CRHR1 (0.62) CRHR1SCN9ARUNX1
SCHEMBL4882896 0.82 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL6605395 0.80 CRHR1 (0.54) CRHR1SCN9ARUNX1NR1I2GRM7
SCHEMBL6205729 0.80 CRHR1 (0.55) CRHR1SCN9ARUNX1FFAR4FFAR1
SCHEMBL4881389 0.79 CRHR1 (0.54) CRHR1
SCHEMBL4882797 0.79 CRHR1 (0.56) CRHR1SCN9A

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