SCHEMBL7427153

SCHEMBL7427153

C[C@@H](N)C(=O)NC(=O)c1ccc2c(c1)NCC2.NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 1/20 0.33
SLC7A5 Q01650 1/20 0.32
CFD P00746 4/20 0.32
NPY2R P49146 1/20 0.32
ADAMTS4 O75173 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NAMPT P43490 3/20 0.31
ADRA2C P18825 1/20 0.31
F11 P03951 1/20 0.31
TPSB2 P20231 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7428225 1.00 ACHE (0.34) ACHEOPRM1OPRD1OPRK1SLC7A5
SCHEMBL7426885 0.93 ACHE (0.35) ACHEOPRM1OPRD1OPRK1SLC7A5
SCHEMBL7428803 0.92 ACHE (0.34) ACHEOPRM1OPRD1OPRK1SLC7A5
Trifluoroacetic Acid SCHEMBL5213057 0.91 ACHE (0.34) ACHEOPRK1SLC7A5NAMPT
Trifluoroacetic Acid SCHEMBL5212873 0.91 ACHE (0.34) ACHEOPRK1SLC7A5NAMPT
SCHEMBL7431168 0.88 ACHE (0.38) ACHEOPRM1OPRD1OPRK1CFD
Trifluoroacetic Acid SCHEMBL7422801 0.86 ACHE (0.35) ACHEOPRM1OPRD1OPRK1CFD
Trifluoroacetic Acid SCHEMBL7424902 0.85 ACHE (0.34) ACHESLC7A5NAMPT
Trifluoroacetic Acid SCHEMBL7431702 0.83 NAMPT (0.34) ACHEOPRK1SLC7A5NAMPT
Trifluoroacetic Acid SCHEMBL7428691 0.82 CFD (0.43) ACHECFDNPC1RAB9ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 WO disclosed