SCHEMBL6462679

SCHEMBL6462679

NC(=O)CC(CC(O)(CCc1ccccc1)c1ncco1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
CES1 P23141 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
EPHX2 P34913 4/20 0.34
NPC1 O15118 2/20 0.33
EPHX1 P07099 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL6463655 0.81 LMNA (0.39) FAAHSMN1; SMN2CES1TAAR1NPC1
SCHEMBL6466340 0.81 LMNA (0.39) FAAHSMN1; SMN2CES1TAAR1NPC1
SCHEMBL6465748 0.77 LMNA (0.40) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL7045897 0.75 EPHX2 (0.38) FAAHSMN1; SMN2HPGDEPHX2NPC1
SCHEMBL6472186 0.69 KMT2A (0.38) FAAHSMN1; SMN2HPGDCES1RAB9A
SCHEMBL6468184 0.64 CES1 (0.46) FAAHHPGDCES1NCEH1
SCHEMBL7414987 0.64 CES1 (0.46) FAAHHPGDCES1NCEH1
Trifluoroacetic Acid SCHEMBL6466295 0.63 CES1 (0.45) FAAHCES1NCEH1
SCHEMBL6462292 0.63 DAGLA (0.39) FAAHSMN1; SMN2HPGDCES1NPC1
SCHEMBL6472179 0.61 MMP3 (0.44) FAAHCES1NCEH1EPHX2

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed