SCHEMBL7922585

SCHEMBL7922585

CNCCCC[C@H](N)C(=O)O.NCCCC[C@H](NO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.57
NOD1 Q9Y239 6/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
FOLH1 Q04609 1/20 0.42
SLC6A5 Q9Y345 1/20 0.40
OTC P00480 1/20 0.38
ARG1 P05089 3/20 0.38
ARG2 P78540 3/20 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
Lysine SCHEMBL1130394 0.89 GSR (0.71) GSRNOD1FOLH1SLC6A5ARG1
Lysine SCHEMBL9556358 0.89 GSR (0.71) GSRNOD1FOLH1SLC6A5ARG1
Ornithine SCHEMBL7105810 0.88 GSR (0.69) GSRNOD1FOLH1SLC6A5ARG1
Ornithine Aketoglutarate SCHEMBL7105807 0.88 GSR (0.69) GSRNOD1FOLH1SLC6A5ARG1
Norleucine SCHEMBL17423937 0.85 GSR (0.61) GSRNOD1GNAI3GNAO1GNAI1
SCHEMBL3438650 0.84 CPB2 (0.42) NOD1FOLH1SLC6A5
SCHEMBL64149 0.83 GSR (0.57) GSROTCARG1ARG2
SCHEMBL432790 0.83 GSR (0.57) GSROTCARG1ARG2
SCHEMBL623369 0.83 GSR (0.57) GSROTCARG1ARG2
(S)-2-Aminoadipic Acid SCHEMBL15156054 0.82 GSR (0.61) GSRNOD1FOLH1SLC6A5

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-1086092-A1 BENZO(b)THIEPINE-1,1-DIOXIDE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2001-03-28 EP disclosed
WO-1999064410-A1 BENZO(b)THIEPINE-1,1-DIOXIDE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-12-16 WO disclosed