SCHEMBL5543844

SCHEMBL5543844

NC(Cc1ccccc1)C(O)C(O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
BACE1 P56817 2/20 0.42
CTSC P53634 1/20 0.40
POLB P06746 1/20 0.38
SLC15A1 P46059 1/20 0.38

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
SCHEMBL13379918 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL13379919 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3053577 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3045916 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3036936 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL3044611 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1CTSC
SCHEMBL4368684 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL25339415 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB
SCHEMBL22461896 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB
SCHEMBL20833040 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CTSCPOLB

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-1768665-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS Universita'Degli Studi di Trieste (IT) 2007-04-04 EP disclosed
WO-2005123067-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2005-12-29 WO disclosed