SCHEMBL3684256

SCHEMBL3684256

CCCCc1ccc[c]c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.40
LIPG Q9Y5X9 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TYR P14679 1/20 0.35
SKP2 Q13309 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33

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 0.94 LIPG (0.44) TLR8LIPGALOX5PTGS2BID
SCHEMBL3689601 0.93 LIPG (0.47) TLR8LIPGCYP3A4TYRALOX5
SCHEMBL4415208 0.88 DAO (0.33)
SCHEMBL677297 0.82 LIPG (0.39) TLR8LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL7828514 0.81 LIPG (0.38) TLR8LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL2390537 0.79
SCHEMBL817104 0.79 LIPG (0.44) LIPGCYP3A4TYRALOX5PTGS2
SCHEMBL7267794 0.79 LIPG (0.44) LIPGCYP3A4TYRALOX5PTGS2
SCHEMBL2972730 0.78 LIPG (0.39) TLR8LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL983670 0.78 LIPG (0.47) LIPGCYP3A4TYRALOX5PTGS2

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
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 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-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 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