SCHEMBL6979430

SCHEMBL6979430

O=C(C1CCN(c2cc(Cl)ncn2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.72
CNR1 P21554 3/20 0.55
NPSR1 Q6W5P4 1/20 0.52
F10 P00742 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7654951 0.88 LSS (0.72) LSSCNR1ALDH1A1L3MBTL1NPC1
SCHEMBL6970581 0.88 LSS (0.56) LSSCNR1NPSR1F10ALDH1A1
SCHEMBL6975703 0.87 LSS (0.53) LSSALDH1A1L3MBTL1PKM
SCHEMBL7085163 0.86 LSS (0.69) LSSCNR1NPSR1ALDH1A1L3MBTL1
SCHEMBL6980904 0.85 LSS (0.68) LSSNPSR1ALDH1A1L3MBTL1NPC1
SCHEMBL7336119 0.84 LSS (1.00) LSSCNR1NPSR1F10ALDH1A1
SCHEMBL6978502 0.84 LSS (0.52) LSSCNR1NPSR1L3MBTL1NPC1
SCHEMBL6184369 0.82 LSS (0.72) LSSCNR1NPSR1F10ALDH1A1
SCHEMBL6977459 0.81 LSS (0.93) LSSCNR1NPSR1F10ALDH1A1
SCHEMBL6184180 0.80 LSS (0.92) LSSCNR1ALDH1A1NPC1RAB9A

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 5 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
CN-1228087-A Substituted pyrimidine derivatives and their pharmaceutical use ZENECA LTD (GB) 1999-09-08 CN 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