SCHEMBL6466282

SCHEMBL6466282

O=C(O)NCC(C(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 3/20 0.35
CTSS P25774 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FAAH O00519 2/20 0.34
EPHX1 P07099 2/20 0.34
TP53 P04637 1/20 0.34
CES1 P23141 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL7047935 0.91 LMNA (0.37) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL7043453 0.89 LMNA (0.43) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL7049029 0.89 RAB9A (0.38) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL7045974 0.88 CTSS (0.43) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL6467035 0.87 LMNA (0.47) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL6462862 0.85 OPRD1 (0.37) LMNAMAPTKMT2AALOX5TP53
SCHEMBL7048360 0.84 HTT (0.45) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL6464160 0.82 LMNA (0.39) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL6462741 0.81 FAAH (0.36) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL6063233 0.80 FAAH (0.37) LMNAMAPTTSHRMEN1KMT2A

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