SCHEMBL6980932

SCHEMBL6980932

Cc1nccc(N2CCC(C(=O)N3CCCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.77
CNR1 P21554 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
F10 P00742 4/20 0.54
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL6974183 0.93 LSS (0.76) LSSCNR1NPSR1GAANPC1
SCHEMBL6977994 0.91 LSS (0.93) LSSNPSR1NPC1RAB9AALDH1A1
SCHEMBL6981479 0.87 CNR1 (0.59) LSSCNR1NPSR1GAANPC1
SCHEMBL6182258 0.87 LSS (1.00) LSSCNR1NPC1RAB9AF10
SCHEMBL8310078 0.86 LSS (0.83) LSSNPC1RAB9AALDH1A1
SCHEMBL6981670 0.85 LSS (0.76) LSSCNR1NPSR1GAANPC1
SCHEMBL6975619 0.83 LSS (0.62) LSSCNR1NPSR1RAB9AALDH1A1
SCHEMBL7650545 0.83 CNR1 (0.64) LSSCNR1NPSR1GAANPC1
SCHEMBL6977537 0.83 LSS (0.93) LSSGAANPC1RAB9AALDH1A1
SCHEMBL8309729 0.81 LSS (0.89) LSSCNR1NPC1RAB9AF10

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