SCHEMBL3955656

SCHEMBL3955656

C[C@@H](CCNC(=O)OC(C)(C)C)CC(=O)N(C1CCCNCC1O)S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35
RORC P51449 4/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
REN P00797 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HTR6 P50406 2/20 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
SCHEMBL6605213 0.84 KCNA5 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3955653 0.81 CTSL (0.36) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL3955650 0.81 CTSL (0.36) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL6605969 0.79 SLC6A2 (0.37) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL6605965 0.79 SLC6A2 (0.37) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL6610805 0.74 CD274 (0.33) SLC6A2SLC6A4
SCHEMBL6589700 0.71 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7562353 0.71 CYP3A4 (0.38) CA1CA2
SCHEMBL6214730 0.70 EPHX1 (0.40)
SCHEMBL6590820 0.70 EPHX1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP disclosed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed