SCHEMBL7825934

SCHEMBL7825934

CC(N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
ENPEP Q07075 7/20 0.48
GNPAT O15228 1/20 0.47
ECE1 P42892 2/20 0.47
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ACE P12821 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
SCHEMBL8648570 1.00 MME (0.49) MMEENPEPGNPATECE1CA2
SCHEMBL30355295 1.00 MME (0.49) MMEENPEPGNPATECE1CA2
SCHEMBL8650914 1.00 MME (0.49) MMEENPEPGNPATECE1CA2
SCHEMBL29378709 1.00 MME (0.49) MMEENPEPGNPATECE1CA2
SCHEMBL30798028 0.96 GNPAT (0.53) MMEENPEPGNPATECE1CA2
SCHEMBL30798044 0.96 GNPAT (0.53) MMEENPEPGNPATECE1CA2
SCHEMBL29384981 0.93 ENPEP (0.44) MMEENPEPGNPATECE1CA2
SCHEMBL30193555 0.91 MME (0.54) MMEENPEPGNPATECE1NOD1
SCHEMBL30193189 0.91 MME (0.54) MMEENPEPGNPATECE1NOD1
SCHEMBL26222728 0.91 GNPAT (0.46) MMEENPEPGNPATECE1NOD1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed