SCHEMBL10046478

SCHEMBL10046478

CCCCCCn1nc(OCCCC[C@@H](C)O)c2cnncc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SMPD1 P17405 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL764351 0.94 CNR1 (0.35) CNR2CNR1ACHEPPARG
SCHEMBL12443687 0.87 CNR2 (0.43) CNR2CNR1ACHEMEN1MAPT
SCHEMBL12443253 0.87 CNR2 (0.43) CNR2CNR1ACHEMEN1MAPT
SCHEMBL765580 0.85 CNR1 (0.31) CNR2CNR1ACHE
SCHEMBL764377 0.85 CNR1 (0.31) CNR2CNR1ACHE
SCHEMBL765094 0.81 KAT2B (0.46) CNR2CNR1ACHEMEN1MAPT
SCHEMBL765112 0.80 CNR1 (0.33) CNR2CNR1ACHE
SCHEMBL3319604 0.75 CNR2 (0.51) CNR2CNR1ACHEMEN1MAPT
SCHEMBL3312575 0.75 CNR2 (0.51) CNR2CNR1ACHEMEN1MAPT
SCHEMBL14605533 0.74 ALDH1A1 (0.43) CNR2CNR1ACHEMEN1MAPT

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-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 EP disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 EP disclosed