SCHEMBL6604201

SCHEMBL6604201

CCCCCOc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.49
SCN9A Q15858 1/20 0.38
NR1I2 O75469 1/20 0.37
RUNX1 Q01196 1/20 0.36
GRM7 Q14831 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL6602770 0.87 CRHR1 (0.54) CRHR1SCN9ANR1I2RUNX1GRM7
SCHEMBL6607143 0.86 CRHR1 (0.54) CRHR1SCN9ANR1I2RUNX1FFAR1
SCHEMBL6603304 0.86 CRHR1 (0.46) CRHR1SCN9ANR1I2RUNX1FFAR1
SCHEMBL6204110 0.85 CRHR1 (0.58) CRHR1SCN9ANR1I2RUNX1GRM7
SCHEMBL6203296 0.85 CRHR1 (0.57) CRHR1SCN9ANR1I2RUNX1
SCHEMBL6202563 0.85 CRHR1 (0.57) CRHR1SCN9ANR1I2RUNX1
SCHEMBL4878173 0.83 CRHR1 (0.55) CRHR1SCN9ARUNX1
SCHEMBL6203243 0.83 CRHR1 (0.48) CRHR1SCN9ANR1I2RUNX1GRM7
SCHEMBL6202901 0.82 CRHR1 (0.47) CRHR1SCN9ANR1I2RUNX1GRM7
SCHEMBL6204821 0.81 CRHR1 (0.58) 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-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