SCHEMBL5172995

SCHEMBL5172995

CN[C@@H](C)COc1cnc(Cl)c(C)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7595320 1.00
SCHEMBL5174827 1.00
SCHEMBL5173820 0.83 CYP1A2 (0.43)
SCHEMBL5173856 0.83
SCHEMBL7594243 0.83
SCHEMBL5174141 0.83
SCHEMBL7597703 0.81 AKT1 (0.54)
SCHEMBL7595299 0.81 AKT1 (0.54)
SCHEMBL5173878 0.78
SCHEMBL5173883 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257535-B1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2007-05-23 EP claimed
US-6656958-B2 Preferred compounds are 3'-(5'- and/or 6'-substituted) pyridyl ethers; selectively controlling neurotransmitter release in mammals using these compounds ABBOTT LABORATORIES 2003-12-02 US claimed
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP claimed
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBVIE INC. 2002-05-16 US claimed
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBOTT LABORATORIES 2001-10-25 US claimed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO claimed
EP-1257535-B1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2007-05-23 EP disclosed
US-6656958-B2 Preferred compounds are 3'-(5'- and/or 6'-substituted) pyridyl ethers; selectively controlling neurotransmitter release in mammals using these compounds ABBOTT LABORATORIES 2003-12-02 US disclosed
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBVIE INC. 2002-05-16 US disclosed
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBOTT LABORATORIES 2001-10-25 US disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed