SCHEMBL6981479

SCHEMBL6981479

Cc1cc(N2CCC(C(=O)N3CCCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)nc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LSS P48449 3/20 0.58
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
F10 P00742 1/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 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
SCHEMBL7650545 0.96 CNR1 (0.64) CNR1NPSR1LSSGAANPC1
SCHEMBL6975859 0.91 LSS (0.71) CNR1NPSR1LSSNPC1RAB9A
SCHEMBL6980932 0.87 LSS (0.77) CNR1NPSR1LSSGAANPC1
SCHEMBL6791141 0.80 F10 (0.66) CNR1NPSR1LSSGAAF10
SCHEMBL6981670 0.80 LSS (0.76) CNR1NPSR1LSSGAANPC1
SCHEMBL6974183 0.79 LSS (0.76) CNR1NPSR1LSSGAANPC1
SCHEMBL7662005 0.79 HTR7 (0.49) NPSR1LSSALDH1A1SMN1; SMN2USP2
SCHEMBL6977994 0.78 LSS (0.93) NPSR1LSSNPC1RAB9AALDH1A1
SCHEMBL6980904 0.78 LSS (0.68) NPSR1LSSNPC1RAB9AALDH1A1
SCHEMBL6181418 0.74 LMNA (0.61) LSSGAARAB9AF10ALDH1A1

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