SCHEMBL4770665

SCHEMBL4770665

NC(=O)c1c(C[CH]C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)c2ccccn2)ccc2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.31
KCNH2 Q12809 1/20 0.30
CTSL P07711 2/20 0.30
CTSS P25774 2/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4766828 0.86 NPC1 (0.32)
SCHEMBL4765022 0.82 PSEN1 (0.34)
SCHEMBL7424005 0.81 PSEN1 (0.35)
SCHEMBL6206632 0.80 CHEK1 (0.31)
SCHEMBL4762955 0.79 PSEN1 (0.32)
SCHEMBL6206759 0.79 PSEN1 (0.32)
SCHEMBL6204977 0.79 PSEN1 (0.32)
SCHEMBL7425904 0.78 PSEN1 (0.37) CTSLCTSSCTSK
SCHEMBL4761916 0.78 PSEN1 (0.33) CTSLCTSSCTSBCTSK
SCHEMBL6203188 0.78 PSEN1 (0.31)

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed