SCHEMBL6203769

SCHEMBL6203769

CCCCCNc1nc(C)c(-c2ccc(N(C)C)nc2CC)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.39
DNM2 P50570 1/20 0.38
TLR7 Q9NYK1 7/20 0.37
TLR8 Q9NR97 4/20 0.37

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
SCHEMBL6202560 0.91 CRHR1 (0.42) CRHR1DNM2TLR7TLR8
SCHEMBL5446041 0.81 CRHR1 (0.60) CRHR1
SCHEMBL7478779 0.78 CRHR1 (0.44) CRHR1TLR7TLR8
SCHEMBL6201923 0.76 CRHR1 (0.42) CRHR1TLR7TLR8
SCHEMBL6203035 0.76 CRHR1 (0.51) CRHR1TLR7TLR8
SCHEMBL6205812 0.75 CRHR1 (0.45) CRHR1TLR7TLR8
SCHEMBL7474850 0.75 CRHR1 (0.46) CRHR1TLR7TLR8
SCHEMBL7477663 0.74 CRHR1 (0.45) CRHR1TLR7TLR8
SCHEMBL6203258 0.73 CRHR1 (0.47) CRHR1TLR7TLR8
SCHEMBL7482439 0.73 CRHR1 (0.53) 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