SCHEMBL8684045

SCHEMBL8684045

O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(=O)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.48
NPY5R Q15761 1/20 0.46
F10 P00742 1/20 0.44

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
SCHEMBL8686977 0.86 PLG (0.49) F2NPY5RF10
SCHEMBL8689132 0.79 LMNA (0.44) F2NPY5R
SCHEMBL8684777 0.79 ALDH1A1 (0.48) F2NPY5R
SCHEMBL8388664 0.77 SLC1A3 (0.60) F2
SCHEMBL8388668 0.77 SLC1A3 (0.60) F2
SCHEMBL8690017 0.77 MAPT (0.43) F2NPY5R
SCHEMBL8717104 0.75 F2 (0.47) F2F10
SCHEMBL6786061 0.75 F2 (0.47) F2NPY5RF10
SCHEMBL6786044 0.75 F10 (0.63) F2F10
SCHEMBL8721773 0.75 F10 (0.63) F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847125-A Amino acid derivatives with anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-08 US disclosed
EP-0625141-B1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1997-04-16 EP disclosed
EP-0625141-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1994-11-23 EP disclosed
WO-1993014066-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1993-07-22 WO disclosed