SCHEMBL5809206

SCHEMBL5809206

O=C(Nc1ccccc1)OC1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.73
MGLL Q99685 1/20 0.73
BCHE P06276 7/20 0.62
ACHE P22303 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 1/20 0.60
LMNA P02545 1/20 0.59
MC4R P32245 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CHRNA7 P36544 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL2576912 0.98 FAAH (0.76) FAAHMGLLBCHEACHEMEN1
SCHEMBL27544341 0.93 BCHE (0.66) FAAHMGLLBCHEACHEMEN1
SCHEMBL25497646 0.89 FAAH (0.60) FAAHMGLLBCHEACHEMEN1
SCHEMBL12166742 0.89 FAAH (0.77) FAAHMGLLBCHEACHEMEN1
SCHEMBL10596238 0.86 SMN1; SMN2 (0.69) FAAHMGLLBCHEACHEMAOB
SCHEMBL29633028 0.85 MGLL (1.00) FAAHMGLLMEN1CYP1A2CYP3A4
SCHEMBL27858010 0.85 BCHE (0.76) FAAHMGLLBCHEACHEMAOB
SCHEMBL4274165 0.85 MGLL (1.00) FAAHMGLLMEN1CYP1A2CYP3A4
SCHEMBL27347819 0.85 CHRM3 (0.66) FAAHMGLLBCHEACHEMAOB
SCHEMBL12166663 0.83 FAAH (0.58) FAAHMGLLBCHEMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
CN-103288793-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2013-09-11 CN disclosed
CN-1585633-B Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD 2010-10-27 CN disclosed
CN-101701006-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2010-05-05 CN disclosed
WO-2006130426-A2 MODULATORS OF CCR-5 ACTIVITY KEMIA, INC. (US) 2006-12-07 WO disclosed
CN-1585633-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2005-02-23 CN disclosed