SCHEMBL6997542

SCHEMBL6997542

C[C@@H]1[C@H](OS(C)(=O)=O)C(OS(C)(=O)=O)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
MAPT P10636 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL16394026 1.00 SLC6A4 (0.41) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL5744290 0.90 SLC6A4 (0.46) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL19034819 0.85 MAPT (0.48) MAPTNR1H2NR1H3DRD2DRD3
SCHEMBL7005925 0.85 MAPT (0.39) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL16023501 0.85 PDK1 (0.36) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL17427527 0.85 PDK1 (0.36) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL3833437 0.77 PTPN1 (0.48) DRD2SIGMAR1
SCHEMBL5745904 0.77 NR1H2 (0.43) MAPTNR1H2NR1H3SIGMAR1
SCHEMBL10522832 0.77 PTPN1 (0.48) DRD2SIGMAR1
SCHEMBL13379049 0.77 PTPN1 (0.48) DRD2SIGMAR1

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-0792273-B1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS UPJOHN CO (US) 2003-03-05 EP disclosed
US-5952324-A BACTERICIDES AGAINST A NUMBER OF HUMAN AND VETERINARY PATHOGENS, INCLUDING GRAMPOSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCI, STREPTOCOCCI, ENTEROCOCCI AND ANAEROBIC ORGANISMS SUCH AS BACTEROIDES, CLOSTRIDIA AND MYCOBACTERIUM PHARMACIA & UPJOHN COMPANY (US) 1999-09-14 US disclosed