SCHEMBL4742947

SCHEMBL4742947

Brc1ccc2c(c1)C[C@H](N1CCOCC1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
FAAH O00519 1/20 0.41
PNMT P11086 9/20 0.39
ADRA2A P08913 4/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FYN P06241 1/20 0.39
MGLL Q99685 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL4745830 1.00 IRAK4 (0.42) IRAK4FAAHPNMTADRA2AADRA2B
SCHEMBL4743142 1.00 IRAK4 (0.42) IRAK4FAAHPNMTADRA2AADRA2B
SCHEMBL2085878 0.88 FAAH (0.54) IRAK4FAAHPNMTADRA2AADRA2B
SCHEMBL30194882 0.80 PNMT (0.44) FAAHPNMTADRA2AADRA2BADRA2C
SCHEMBL308901 0.80 MAPT (0.46) IRAK4FYN
SCHEMBL2731112 0.75 FAAH (0.57) FAAHPNMTFYN
SCHEMBL308120 0.74 ALDH1A1 (0.52) PNMTADRA2AADRA2BADRA2CCYP1B1
SCHEMBL2060177 0.72 FAAH (0.57) FAAHPNMTADRA2AADRA2BADRA2C
SCHEMBL29113473 0.72 FAAH (0.57) FAAHPNMTADRA2AADRA2BADRA2C
SCHEMBL4141990 0.72 FAAH (0.57) FAAHPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed