SCHEMBL6203930

SCHEMBL6203930

CCCCCNc1nc(C)c(-c2c(OC)cc(C(=O)OC)cc2OC)nc1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.44
MGLL Q99685 2/20 0.43
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
CRHR1 P34998 2/20 0.37
TLR8 Q9NR97 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6204471 0.91 TLR7 (0.42) TLR7TLR8HDAC3HDAC2
SCHEMBL6205743 0.90 TLR7 (0.41) TLR7HDAC3HDAC2
SCHEMBL6203376 0.89 TLR7 (0.39) TLR7CRHR1TLR8HDAC3HDAC2
SCHEMBL6203648 0.87 TLR7 (0.40) TLR7
SCHEMBL6200464 0.86 TLR7 (0.42) TLR7CRHR1TLR8POLB
SCHEMBL7476643 0.85 CRHR1 (0.44) TLR7CRHR1TLR8POLB
SCHEMBL7478618 0.83 CRHR1 (0.42) TLR7CNR2CRHR1TLR8POLB
SCHEMBL6201435 0.83 CRHR1 (0.41) TLR7CRHR1TLR8POLB
SCHEMBL6203100 0.83 CRHR1 (0.40) TLR7CRHR1TLR8
SCHEMBL5441720 0.81 CRHR1 (0.55) CNR2CRHR1

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