SCHEMBL6202690

SCHEMBL6202690

CCCCCNc1nc(C)c(-c2ccc(OC)cc2OC)nc1SC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.46
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TLR7 Q9NYK1 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CACNA2D1 P54289 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL6203783 0.91 CRHR1 (0.42) CRHR1ALDH1A1TLR7
SCHEMBL7119050 0.88 CRHR1 (0.48) CRHR1TLR7HDAC3HDAC1HDAC2
SCHEMBL5449254 0.82 CRHR1 (0.64) CRHR1
SCHEMBL6203447 0.81 TLR7 (0.38) CRHR1ALDH1A1TLR7TLR8
SCHEMBL7482544 0.81 CRHR1 (0.52) CRHR1TLR7TLR8
SCHEMBL7472049 0.80 CRHR1 (0.56) CRHR1TLR7ADORA3
SCHEMBL7475275 0.79 CRHR1 (0.47) CRHR1TLR7HDAC3HDAC1HDAC2
SCHEMBL6203899 0.78 TLR7 (0.36) CRHR1ALDH1A1TLR7
SCHEMBL7606978 0.77 CRHR1 (0.59) CRHR1HDAC3HDAC1HDAC2
SCHEMBL4924779 0.77 CRHR1 (0.58) CRHR1TLR7ADORA3

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