SCHEMBL6998943

SCHEMBL6998943

CNC(=O)C1NC2C=CC=CC2S1.NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ADRA2C P18825 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CFD P00746 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL5205927 0.95 LOXL2 (0.34) OPRM1OPRD1OPRK1ADRA2CLOXL2
SCHEMBL5628892 0.84 ADRA2C (0.35) OPRM1OPRD1OPRK1ADRA2CLOXL2
SCHEMBL5208096 0.80 KMT2A (0.36) KMT2A
SCHEMBL6988918 0.77 ADRA2C (0.52) OPRM1OPRD1OPRK1ADRA2CLOXL2
Trifluoroacetic Acid SCHEMBL5209569 0.72 F2 (0.31)
SCHEMBL5210877 0.70 ADRA2C (0.52) ADRA2CLOXL2NPC1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL6993585 0.67
Trifluoroacetic Acid SCHEMBL7437532 0.67 LMNA (0.37) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL5209352 0.67 F2 (0.34) ADRA2CKMT2A
SCHEMBL7422172 0.67 KDM4E (0.43) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed