SCHEMBL7415559

SCHEMBL7415559

CC(C)(C)OC(=O)N1CC[C@@H]1COc1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
DPP4 P27487 1/20 0.46
GPR119 Q8TDV5 4/20 0.44
F2RL3 Q96RI0 2/20 0.41
ALOX5AP P20292 3/20 0.41
FEN1 P39748 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40

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
SCHEMBL7484779 1.00 POLB (0.50) POLBCHRNB2CHRNA4DPP4GPR119
SCHEMBL7453857 0.88 CHRNB2 (0.54) CHRNB2CHRNA4GPR119F2RL3CHRNB1
SCHEMBL7409193 0.88 CHRNB2 (0.54) CHRNB2CHRNA4GPR119F2RL3CHRNB1
SCHEMBL7415126 0.81 CHRNB2 (0.61) CHRNB2CHRNA4GPR119F2RL3ALOX5AP
SCHEMBL7410033 0.81 GPR119 (0.43) CHRNB2CHRNA4GPR119ALOX5APFEN1
SCHEMBL27462042 0.81 GPR119 (0.48) POLBGPR119ALOX5APFEN1
SCHEMBL7412041 0.81 ALOX5AP (0.50) POLBCHRNB2CHRNA4F2RL3ALOX5AP
SCHEMBL21845257 0.81 ALOX5AP (0.50) POLBCHRNB2CHRNA4F2RL3ALOX5AP
SCHEMBL29960520 0.81 ALOX5AP (0.50) POLBCHRNB2CHRNA4F2RL3ALOX5AP
SCHEMBL3361683 0.80 UCHL1 (0.41) POLBGPR119ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125064-C 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2003-10-22 CN disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
CN-1245496-A 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2000-02-23 CN disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed