SCHEMBL6981670

SCHEMBL6981670

O=C(C1CCN(c2ccncn2)CC1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.76
CNR1 P21554 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
F10 P00742 1/20 0.58
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6180071 0.92 LSS (0.75) LSSCNR1NPSR1F10GAA
SCHEMBL6977459 0.91 LSS (0.93) LSSCNR1NPSR1F10NPC1
SCHEMBL6977162 0.90 LSS (0.75) LSSCNR1NPC1L3MBTL1KMT2A
SCHEMBL1387187 0.87 F10 (0.77) LSSCNR1NPSR1F10LMNA
SCHEMBL7336119 0.86 LSS (1.00) LSSCNR1NPSR1F10L3MBTL1
SCHEMBL6980932 0.85 LSS (0.77) LSSCNR1NPSR1F10GAA
SCHEMBL6184509 0.84 LSS (0.77) LSSCNR1NPSR1F10GAA
SCHEMBL6184180 0.82 LSS (0.92) LSSCNR1NPC1RAB9ALMNA
Acetonitrile SCHEMBL6181195 0.81 LSS (0.89) LSSCNR1F10NPC1RAB9A
SCHEMBL1387275 0.81 LSS (0.73) LSSF10GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed