SCHEMBL6201148

SCHEMBL6201148

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.48
ADORA3 P0DMS8 2/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL6202775 0.99 CRHR1 (0.47) CRHR1ADORA3
SCHEMBL6203227 0.91 CRHR1 (0.47) CRHR1
SCHEMBL6204658 0.90 CRHR1 (0.46) CRHR1
SCHEMBL6203571 0.90 CRHR1 (0.46) CRHR1
SCHEMBL6203200 0.90 CRHR1 (0.43) CRHR1ADORA3
SCHEMBL6203198 0.89 CRHR1 (0.42) CRHR1ADORA3
SCHEMBL6204110 0.89 CRHR1 (0.58) CRHR1
SCHEMBL6204012 0.88 CRHR1 (0.45) CRHR1
SCHEMBL6203296 0.88 CRHR1 (0.57) CRHR1
SCHEMBL6202563 0.88 CRHR1 (0.57) CRHR1

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