SCHEMBL6200464

SCHEMBL6200464

CCCCCNc1nc(C)c(-c2c(OC)cc(CO)cc2OC)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR8 Q9NR97 1/20 0.39
CRHR1 P34998 3/20 0.38
ALDH1A1 P00352 1/20 0.36
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
SCHEMBL6203100 0.90 CRHR1 (0.40) TLR7TLR8CRHR1
SCHEMBL7476643 0.88 CRHR1 (0.44) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL7475052 0.88 TLR7 (0.38) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL6202548 0.88 TLR7 (0.38) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL6203573 0.88 TLR7 (0.41) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL6201715 0.86 CRHR1 (0.39) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL7478618 0.86 CRHR1 (0.42) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL6203930 0.86 TLR7 (0.44) TLR7TLR8CRHR1POLB
SCHEMBL6201435 0.85 CRHR1 (0.41) TLR7TLR8CRHR1ALDH1A1POLB
SCHEMBL6204471 0.85 TLR7 (0.42) TLR7TLR8

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