SCHEMBL29445482

SCHEMBL29445482

Nc1cccnc1OC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.53
ALOX5AP P20292 2/20 0.52
FEN1 P39748 2/20 0.52
LRRK2 Q5S007 3/20 0.47
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL1936639 1.00 GRM4 (0.53) GRM4ALOX5APFEN1LRRK2PDE10A
SCHEMBL2404642 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL2406994 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL2404646 0.91 GRM4 (0.54) GRM4ALOX5APFEN1LRRK2
SCHEMBL31702258 0.88 ALOX5AP (0.43) GRM4ALOX5APFEN1PDE10A
SCHEMBL20687907 0.88 ALOX5AP (0.43) GRM4ALOX5APFEN1PDE10A
SCHEMBL20240553 0.85 ALOX5AP (0.46) GRM4ALOX5APFEN1LRRK2
SCHEMBL4967417 0.85 ALOX5AP (0.46) GRM4ALOX5APFEN1LRRK2
SCHEMBL20689295 0.83 GRM4 (0.42) GRM4ALOX5APFEN1LRRK2
SCHEMBL9574598 0.83 ALOX5AP (0.47) GRM4ALOX5APFEN1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed