SCHEMBL6203048

SCHEMBL6203048

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.46
PPARG P37231 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SMPD1 P17405 3/20 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
SCHEMBL6204280 0.99 CRHR1 (0.46) CRHR1SMPD1
SCHEMBL6202607 0.99 CRHR1 (0.46) CRHR1SMPD1
SCHEMBL6203200 0.91 CRHR1 (0.43) CRHR1ADORA3
SCHEMBL6203198 0.91 CRHR1 (0.42) CRHR1ADORA3SMPD1
SCHEMBL6203227 0.89 CRHR1 (0.47) CRHR1
SCHEMBL6203602 0.89 CRHR1 (0.45) CRHR1
SCHEMBL6203571 0.89 CRHR1 (0.46) CRHR1
SCHEMBL6204658 0.89 CRHR1 (0.46) CRHR1
SCHEMBL6202389 0.88 CRHR1 (0.44) CRHR1SMPD1
SCHEMBL6204985 0.88 CRHR1 (0.44) CRHR1SMPD1

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