SCHEMBL7797130

SCHEMBL7797130

NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.49
FOLH1 Q04609 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
CPB2 Q96IY4 8/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
ACE P12821 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL7797125 1.00 SLC15A2 (0.49) SLC15A2FOLH1SLC6A5PTGS1GSTK1
SCHEMBL27164799 0.93 SLC15A2 (0.45) SLC15A2FOLH1SLC6A5PTGS1GSTK1
SCHEMBL27204489 0.93 SLC15A2 (0.45) SLC15A2FOLH1SLC6A5PTGS1GSTK1
SCHEMBL15756737 0.89 FOLH1 (0.54) SLC15A2FOLH1SLC6A5CPB2F2
SCHEMBL4299646 0.89 FOLH1 (0.54) SLC15A2FOLH1SLC6A5CPB2F2
SCHEMBL32672545 0.88 NMT1 (0.51) SLC15A2FOLH1SLC6A5NMT2NMT1
SCHEMBL8821210 0.88 FOLH1 (0.53) SLC15A2FOLH1SLC6A5CPB2F2
SCHEMBL29893406 0.88 FOLH1 (0.53) SLC15A2FOLH1SLC6A5CPB2F2
SCHEMBL8821211 0.88 FOLH1 (0.53) SLC15A2FOLH1SLC6A5CPB2F2
SCHEMBL30398536 0.87 QRFPR (0.42) SLC15A2NMT2NMT1

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