SCHEMBL5610109

SCHEMBL5610109

CC1(C)CS[C@@H](C(=O)N([C@@H](Cc2ccc(OC(=O)N3CCCC3CO)cc2)C(=O)OCC2CCCN2C(=O)Oc2ccc(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@H]3NC(C)(C)CS3)S(=O)(=O)c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
APP P05067 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
PSEN1 P49768 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL3850662 0.97 APP (0.33) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL3853503 0.89 ITGB1 (0.35)
SCHEMBL3855318 0.82 P2RX7 (0.32) P2RX7
SCHEMBL6636249 0.78 APP (0.35) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL3852759 0.78 P2RX7 (0.37) L3MBTL1P2RX7
SCHEMBL6709367 0.76 P4HB (0.31)
SCHEMBL6635356 0.76 NPY2R (0.32) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL3850225 0.76 P2RX7 (0.32) P2RX7
SCHEMBL3849629 0.75 P2RX7 (0.33) HTR2APSEN1P2RX7
SCHEMBL6708267 0.75 HSD11B1 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP claimed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP claimed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO claimed