SCHEMBL8713209

SCHEMBL8713209

CC(C)(C)O/N=C(/c1cc(F)c(Cl)cc1O)c1ncccc1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL8710290 1.00 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8710286 1.00 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8713176 0.95 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8713179 0.95 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8710242 0.91 GRM4 (0.34) GRM4TLR7
SCHEMBL8714262 0.91 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8713273 0.91 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8710237 0.91 GRM4 (0.34) GRM4TLR7
SCHEMBL8713277 0.91 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8712369 0.87 GRM4 (0.32) GRM4TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed