SCHEMBL6583182

SCHEMBL6583182

C=Cc1ncc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C.Cc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
F2RL3 Q96RI0 2/20 0.38

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
SCHEMBL8156093 0.95 ALOX5AP (0.44) ALOX5APFEN1GPR119CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL6587211 0.94 ALOX5AP (0.43) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6582765 0.92 ALOX5AP (0.45) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6585343 0.86 ALOX5AP (0.43) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7675594 0.86 ALOX5AP (0.43) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7829302 0.85 ALOX5AP (0.44) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6620281 0.83 ALOX5AP (0.47) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7827305 0.83 ALOX5AP (0.47) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6587322 0.83 ALOX5AP (0.42) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7665384 0.83 ALOX5AP (0.42) ALOX5APFEN1GPR119CHRNB4CHRNA3

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