SCHEMBL6607673

SCHEMBL6607673

CCc1cnc(CC)c(OC(CC)CC)c1.CCc1cnc(Cl)c(OC(CC)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.35
GCK P35557 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL4881240 0.92 GCK (0.34) CRHR1GCKMCHR1
SCHEMBL4881459 0.92 CRHR1 (0.33) CRHR1MCHR1
SCHEMBL22641245 0.74 PTGS2 (0.48)
SCHEMBL4631483 0.73 PTGS2 (0.34)
SCHEMBL19446104 0.72 PTGS2 (0.50)
SCHEMBL18948308 0.71 PARP1 (0.36) GCK
SCHEMBL6603590 0.69 MAPT (0.38)
SCHEMBL31080248 0.68 CRHR1 (0.40) CRHR1MCHR1
SCHEMBL6604032 0.67 TLR8 (0.38) MCHR1
SCHEMBL8272903 0.66 ALDH1A1 (0.44)

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