SCHEMBL27375262

SCHEMBL27375262

CC(C)(C)OC(=O)N(CCCCc1ccccc1)C(N)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
SIGMAR1 Q99720 6/20 0.44
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FDPS P14324 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL27350198 0.80 AOC3 (0.50) L3MBTL1SIGMAR1HDAC3HDAC1HDAC2
SCHEMBL22327659 0.80 L3MBTL1 (0.43) L3MBTL1SIGMAR1
SCHEMBL10285568 0.78 CTSK (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1926702 0.78 L3MBTL1 (0.41) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL26995518 0.77 L3MBTL1 (0.48) L3MBTL1SIGMAR1HDAC3HDAC1HDAC2
SCHEMBL12514549 0.77 L3MBTL1 (0.41) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3640549 0.76 AOC3 (0.47) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL12514163 0.76 ADRB2 (0.39) L3MBTL1SIGMAR1HDAC3HDAC1HDAC2
SCHEMBL8583347 0.76 MAOA (0.47) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5442678 0.76 FFAR1 (0.49) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310905-C Antivirally active heterocyclic azahexane derivatives NOVARTIS AG (CH) 2007-04-18 CN disclosed
CN-1616453-A Antivirally active heterocyclic azahexane derivatives NOVARTIS AG (CH) 2005-05-18 CN disclosed
CN-1193010-C Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 2005-03-16 CN disclosed
CN-1082508-C Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 2002-04-10 CN disclosed
CN-1319587-A Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 2001-10-31 CN disclosed
CN-1216539-A Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 1999-05-12 CN disclosed