SCHEMBL6583129

SCHEMBL6583129

C=Cc1cc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)cnc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 1/20 0.38
F2RL3 Q96RI0 2/20 0.35
PIK3CD O00329 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6596835 0.95 CHRNA3 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7477731 0.91 ALOX5AP (0.42) GPR119ALOX5APFEN1F2RL3CHRNB2
SCHEMBL6585264 0.91 ALOX5AP (0.42) GPR119ALOX5APFEN1F2RL3CHRNB2
SCHEMBL6588750 0.89 ALOX5AP (0.38) GPR119ALOX5APFEN1CHRNB4CHRNA3
SCHEMBL7478107 0.84 ALOX5AP (0.39) GPR119ALOX5APFEN1F2RL3CHRNB2
SCHEMBL7474875 0.84 ALOX5AP (0.39) GPR119ALOX5APFEN1F2RL3CHRNB2
SCHEMBL7473343 0.84 ALOX5AP (0.39) GPR119ALOX5APFEN1F2RL3PIK3CD
SCHEMBL7829302 0.84 ALOX5AP (0.44) GPR119ALOX5APFEN1F2RL3CHRNB2
SCHEMBL7675594 0.83 ALOX5AP (0.43) GPR119ALOX5APFEN1F2RL3CHRNB4
SCHEMBL6585343 0.83 ALOX5AP (0.43) GPR119ALOX5APFEN1F2RL3CHRNB4

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 8 patents. 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
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-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
CN-1245496-A 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2000-02-23 CN disclosed