SCHEMBL6975619

SCHEMBL6975619

Cc1nccc(N2CCN(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.62
LMNA P02545 4/20 0.58
POLB P06746 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR1 P21554 1/20 0.48
GBA1 P04062 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
PKM P14618 3/20 0.46
ATM Q13315 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL6977387 0.89 LSS (0.76) LSSLMNAPOLBL3MBTL1KDM4E
SCHEMBL6974183 0.87 LSS (0.76) LSSLMNARAB9AHSD17B10CNR1
SCHEMBL6978604 0.85 LSS (0.71) LSSLMNAPOLBL3MBTL1KDM4E
SCHEMBL6980932 0.83 LSS (0.77) LSSRAB9ACNR1ALDH1A1NPSR1
SCHEMBL9514839 0.82 GBA1 (0.65) LSSPOLBKDM4EGBA1HSD11B1
SCHEMBL7654703 0.80 HTR7 (0.56) LSSLMNAKDM4EHSD17B10GBA1
SCHEMBL9517357 0.77 LSS (0.55) LSSLMNAGBA1HSD11B1ALDH1A1
SCHEMBL7549029 0.77 L3MBTL1 (0.67) LSSLMNAPOLBL3MBTL1CNR1
SCHEMBL6182258 0.76 LSS (1.00) LSSLMNAL3MBTL1RAB9AHSD17B10
SCHEMBL6977537 0.76 LSS (0.93) LSSLMNAL3MBTL1RAB9AKDM4E

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