SCHEMBL7479142

SCHEMBL7479142

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45
JAK2 O60674 1/20 0.45
YAP1 P46937 3/20 0.45
GHSR Q92847 5/20 0.44
GPR119 Q8TDV5 4/20 0.44
CHRNA4 P43681 2/20 0.44
KLK7 P49862 1/20 0.42

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
SCHEMBL6585505 0.87 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7465912 0.86 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL3357221 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7475438 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL14960188 0.85 CHRNB2 (0.42) PRMT5CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL3356276 0.84 CHRNB2 (0.42) PRMT5CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL13308501 0.84 CHRNB2 (0.42) PRMT5CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL2185544 0.84 CHRNB2 (0.45) PRMT5CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL3358832 0.84 CHRNB2 (0.42) PRMT5CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL16194984 0.84 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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-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