SCHEMBL8686247

SCHEMBL8686247

CCCCN(CCCC)C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
F2 P00734 2/20 0.48
ALDH1A1 P00352 1/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
ACE P12821 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL8685939 0.97 CCKBR (0.54) CCKBRF2ALDH1A1MMP1MMP7
SCHEMBL8690382 0.97 CCKBR (0.54) CCKBRF2ALDH1A1MMP1MMP7
SCHEMBL8719933 0.91 CCKBR (0.45) CCKBRF2ALDH1A1
SCHEMBL8717107 0.90 GAA (0.45) CCKBRF2ALDH1A1MMP1MMP7
SCHEMBL8716958 0.87 CCKBR (0.45) CCKBRF2ALDH1A1
SCHEMBL8684060 0.84 F2 (0.48) F2ALDH1A1MMP1MMP7ACE
SCHEMBL8947697 0.82 MMP13 (0.51) F2ALDH1A1MMP1MMP7ACE
SCHEMBL8684043 0.80 F2 (0.43) CCKBRF2ALDH1A1MMP1MMP7
SCHEMBL8388664 0.80 SLC1A3 (0.60) F2ALDH1A1MMP13SLC1A3SLC1A2
SCHEMBL8388668 0.80 SLC1A3 (0.60) F2ALDH1A1MMP13SLC1A3SLC1A2

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