SCHEMBL8799466

SCHEMBL8799466

CC(C)C1=NNc2ccccc2C=C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
P2RX4 Q99571 1/20 0.37

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
SCHEMBL2386480 0.75 MAPT (0.48) GAAMAPTP2RX4
SCHEMBL9848838 0.73 GAA (0.35) GAAMAPT
SCHEMBL1505206 0.71 GAA (0.48) GAAMAPT
SCHEMBL8554754 0.71 GAA (0.48) GAAMAPT
SCHEMBL31695999 0.71 GAA (0.48) GAAMAPT
SCHEMBL11428738 0.71 GAA (0.48) GAAMAPT
SCHEMBL8119025 0.71 GAA (0.48) GAAMAPT
SCHEMBL3113175 0.71 GAA (0.48) GAAMAPT
SCHEMBL3241604 0.71 MAPT (0.48) GAAMAPTP2RX4
SCHEMBL30082351 0.71 GAA (0.48) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679672-A ANITARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1997-10-21 US disclosed
EP-0730596-A4 BENZODIAZEPINES MERCK & CO INC (US) 1997-07-30 EP disclosed
EP-0730596-A1 BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014694-A1 BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed