SCHEMBL6585553

SCHEMBL6585553

C=Cc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1Cl.CC(C)(C)OC(=O)N1CCC[C@H]1COc1cnc(Cl)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
ALOX5AP P20292 3/20 0.40
FEN1 P39748 1/20 0.40
UCHL1 P09936 2/20 0.39
USP30 Q70CQ3 1/20 0.39
F2RL3 Q96RI0 2/20 0.39

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
SCHEMBL6585343 0.95 ALOX5AP (0.43) GPR119ALOX5APFEN1F2RL3
SCHEMBL7675594 0.95 ALOX5AP (0.43) GPR119ALOX5APFEN1F2RL3
SCHEMBL6584863 0.92 ALOX5AP (0.45) GPR119ALOX5APFEN1UCHL1F2RL3
SCHEMBL6583255 0.92 ALOX5AP (0.45) GPR119ALOX5APFEN1UCHL1F2RL3
SCHEMBL6584643 0.92 ALOX5AP (0.45) GPR119ALOX5APFEN1UCHL1F2RL3
SCHEMBL6588750 0.89 ALOX5AP (0.38) GPR119ALOX5APFEN1
SCHEMBL6588302 0.88 ALOX5AP (0.39) GPR119ALOX5APFEN1F2RL3
SCHEMBL6585258 0.88 ALOX5AP (0.39) GPR119ALOX5APFEN1F2RL3
SCHEMBL6583119 0.86 ALOX5AP (0.39) GPR119ALOX5APFEN1
SCHEMBL6588458 0.86 ALOX5AP (0.39) GPR119ALOX5APFEN1

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
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed