SCHEMBL2233577

SCHEMBL2233577

CCCC1=C(COC(=O)NCCC[C@@H](Cc2ncn3c2CCc2ccccc2-3)C(=O)O)OOO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.34
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
FOLH1 Q04609 2/20 0.31
MAPT P10636 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A1 P43005 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
SCHEMBL2381593 0.86 ACE (0.35) ACEDPP8DPP7FOLH1MAPT
SCHEMBL2238348 0.86 LMNA (0.39) ACE
SCHEMBL2233582 0.85 ACE (0.35) ACEDPP8DPP7FOLH1MAPT
SCHEMBL2237273 0.82 ACE (0.36) ACEDPP8DPP7FOLH1MAPT
SCHEMBL2236787 0.81 MEN1 (0.47) ACE
SCHEMBL2238532 0.81 MEN1 (0.47) ACE
SCHEMBL2234466 0.81 MEN1 (0.47) ACE
SCHEMBL2236552 0.81 ACE (0.35) ACEDPP8DPP7FOLH1MAPT
SCHEMBL2233508 0.81 ACE (0.35) ACEDPP8DPP7FOLH1MAPT
SCHEMBL2235331 0.80 ACE (0.38) ACEDPP8DPP7FOLH1MAPT

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-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP disclosed