SCHEMBL9905075

SCHEMBL9905075

O=CCCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCCCC=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.50
PSEN2 P49810 6/20 0.50
APH1B Q8WW43 6/20 0.50
NCSTN Q92542 6/20 0.50
APH1A Q96BI3 6/20 0.50
PSENEN Q9NZ42 6/20 0.50
FABP4 P15090 2/20 0.50
FABP5 Q01469 2/20 0.50
MAOA P21397 6/20 0.49
MAOB P27338 6/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
ACHE P22303 3/20 0.49
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47

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
SCHEMBL28472251 0.87 FABP4 (0.56) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL1401150 0.86 SLC6A4 (0.58) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL16098656 0.79 FABP4 (0.53) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL6338101 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL5658338 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL5181736 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL10063551 0.79 MAOA (0.69) FABP4FABP5MAOAMAOBHDAC1
SCHEMBL551644 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9976723 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9905344 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649073-A2 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE The University Of Manchester (GB) 2013-10-16 EP disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 WO disclosed