SCHEMBL7790458

SCHEMBL7790458

NCC(=O)N(C(=O)CN)C(CS)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
CPB2 Q96IY4 3/20 0.36
ENPEP Q07075 6/20 0.35
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
CPN1 P15169 1/20 0.32
ANPEP P15144 2/20 0.30
FOLH1 Q04609 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
SCHEMBL29349420 1.00 PTGS1 (0.39) PTGS1SLC7A11CPB2ENPEPGLRA1
SCHEMBL27656950 0.94 PTGS1 (0.35) PTGS1SLC7A11CPB2ENPEP
SCHEMBL1493217 0.94 PTGS1 (0.35) PTGS1SLC7A11CPB2ENPEP
SCHEMBL27677168 0.88 PTGS1 (0.34) PTGS1SLC7A11CPB2ENPEP
SCHEMBL27677171 0.88 PTGS1 (0.34) PTGS1SLC7A11CPB2ENPEP
SCHEMBL1493232 0.85 PTGS1 (0.45) PTGS1SLC7A11CPB2ENPEP
SCHEMBL4082389 0.80 OR51E2 (0.33) GLRA1SLC6A9OR51E2
SCHEMBL15756799 0.80 OR51E2 (0.33) GLRA1SLC6A9OR51E2
SCHEMBL9802393 0.78 PTGS1 (0.34) PTGS1SLC7A11ENPEPFOLH1
SCHEMBL9802385 0.78 PTGS1 (0.34) PTGS1SLC7A11ENPEPFOLH1

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
EP-0750610-B1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS DIATIDE INC (US) 2001-12-12 EP disclosed
US-6248304-B1 PIPERIDINE COMPOUND BERLEX LABORATORIES, INC. 2001-06-19 US disclosed
EP-0750610-A1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS Diatide, Inc. (US) 1997-01-02 EP disclosed
WO-1995025720-A1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS DIATECH, INC. (US) 1995-09-28 WO disclosed