SCHEMBL6204110

SCHEMBL6204110

CCCCCOc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.58
SCN9A Q15858 1/20 0.38
RUNX1 Q01196 1/20 0.35
NR1I2 O75469 1/20 0.35
GRM7 Q14831 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
SCHEMBL6203296 0.99 CRHR1 (0.57) CRHR1SCN9ARUNX1NR1I2
SCHEMBL6202563 0.99 CRHR1 (0.57) CRHR1SCN9ARUNX1NR1I2
SCHEMBL6203243 0.90 CRHR1 (0.48) CRHR1SCN9ARUNX1NR1I2GRM7
SCHEMBL6202901 0.89 CRHR1 (0.47) CRHR1SCN9ARUNX1NR1I2GRM7
SCHEMBL6201148 0.89 CRHR1 (0.48) CRHR1
SCHEMBL6204012 0.88 CRHR1 (0.45) CRHR1
SCHEMBL6202775 0.88 CRHR1 (0.47) CRHR1
SCHEMBL6204277 0.87 CRHR1 (0.45) CRHR1
SCHEMBL6203153 0.87 CRHR1 (0.45) CRHR1
SCHEMBL6203641 0.86 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-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