SCHEMBL8815664

SCHEMBL8815664

O=C(O)[C@H]1NCCC1CC(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.39
ARG2 P78540 1/20 0.39
SLC1A2 P43004 1/20 0.38
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 3/20 0.36

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
SCHEMBL465953 0.75 POLB (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL7362997 0.72 ARG1 (0.45) ARG1ARG2SLC1A2
SCHEMBL1818499 0.72 ARG1 (0.45) ARG1ARG2SLC1A2
SCHEMBL1819575 0.71 SLC1A2 (0.43) SLC1A2SLC6A3SLC6A2SLC6A4
SCHEMBL2504583 0.67 PLG (0.42) ARG1ARG2SLC1A2SLC6A3SLC6A2
SCHEMBL2507865 0.67 SLC6A2 (0.41) ARG1ARG2SLC1A2SLC6A3SLC6A2
SCHEMBL2510316 0.67 ARG1 (0.40) ARG1ARG2SLC1A2
SCHEMBL2509424 0.67 GAA (0.41) ARG1ARG2SLC1A2SLC6A3SLC6A2
SCHEMBL2510442 0.67 ARG1 (0.40) ARG1ARG2SLC1A2
SCHEMBL2508308 0.66 L3MBTL1 (0.46) ARG1ARG2

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
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed