SCHEMBL8716308

SCHEMBL8716308

Cc1cc(O)c(/C(=N/OC(C)(C)C)c2ncccc2O)cc1F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.32
RXRA P19793 3/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CTSA P10619 1/20 0.30
TLR7 Q9NYK1 3/20 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
SCHEMBL8716310 1.00 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BRXRB
SCHEMBL8710526 0.95 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BRXRB
SCHEMBL8710525 0.95 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BRXRB
SCHEMBL8714262 0.92 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BKDM4E
SCHEMBL8713273 0.92 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BKDM4E
SCHEMBL8713277 0.92 GRM4 (0.34) GRM4RXRAGRIN1GRIN2BKDM4E
SCHEMBL8715537 0.90 GRM4 (0.34) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8715534 0.90 GRM4 (0.34) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8713209 0.87 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7
SCHEMBL8710286 0.87 GRM4 (0.32) GRM4RXRAGRIN1GRIN2BTLR7

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