SCHEMBL6204280

SCHEMBL6204280

CCCCCCOc1nc(Br)c(-c2ccc(OC(C)C)cc2OC)nc1NC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.46
SMPD1 P17405 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PLA2G4B P0C869 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
SCHEMBL6202607 1.00 CRHR1 (0.46) CRHR1SMPD1THRATHRBPLA2G4B
SCHEMBL6203048 0.99 CRHR1 (0.46) CRHR1SMPD1
SCHEMBL6203198 0.92 CRHR1 (0.42) CRHR1SMPD1THRATHRB
SCHEMBL6203200 0.91 CRHR1 (0.43) CRHR1
SCHEMBL6203571 0.90 CRHR1 (0.46) CRHR1THRATHRBPLA2G4B
SCHEMBL6204658 0.90 CRHR1 (0.46) CRHR1THRATHRBPLA2G4B
SCHEMBL6204985 0.89 CRHR1 (0.44) CRHR1SMPD1THRATHRB
SCHEMBL6202389 0.89 CRHR1 (0.44) CRHR1SMPD1THRATHRB
SCHEMBL6203227 0.89 CRHR1 (0.47) CRHR1
SCHEMBL6203602 0.88 CRHR1 (0.45) CRHR1THRATHRB

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