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SCHEMBL6201715

SCHEMBL6201715

CCCCCNc1nc(C)c(-c2c(OC)cc(CC(C)F)cc2OC)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 7/20 0.39
▸ TLR7 Q9NYK1 11/20 0.37
▸ TLR8 Q9NR97 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL6200464 0.86 TLR7 (0.42) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL7475052 0.85 TLR7 (0.38) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL6203100 0.85 CRHR1 (0.40) CRHR1TLR7TLR8
SCHEMBL6201435 0.85 CRHR1 (0.41) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL7476643 0.84 CRHR1 (0.44) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL6203573 0.83 TLR7 (0.41) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL6202548 0.83 TLR7 (0.38) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL6203930 0.79 TLR7 (0.44) CRHR1TLR7TLR8POLB
SCHEMBL7478618 0.79 CRHR1 (0.42) CRHR1TLR7TLR8ALDH1A1POLB
SCHEMBL6204471 0.78 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