SCHEMBL3689601

SCHEMBL3689601

CCCCCCc1ccc[c]c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 2/20 0.42
TLR8 Q9NR97 4/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALOX5 P09917 2/20 0.39
PTGS2 P35354 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL3684618 0.98 LIPG (0.44) LIPGKCNH2TLR8BIDMCL1
SCHEMBL3684256 0.93 TLR8 (0.40) LIPGTLR8BIDMCL1BCL2L1
SCHEMBL4415208 0.85 DAO (0.33)
SCHEMBL21523344 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523332 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523367 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523331 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523320 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523321 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL21523356 0.84 LIPG (0.49) LIPGKCNH2BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
EP-2086538-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I.A. DIMEBON AND DOLEPEZIL Medivation Neurology, Inc. (US) 2009-08-12 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed
WO-2008051599-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I. A. DIMEBON AND DOLEPEZIL MEDIVATION NEUROLOGY, INC. (US) 2008-05-02 WO disclosed