SCHEMBL6979382

SCHEMBL6979382

Cc1nccc(N2CCN(C(=O)C3(C)CCN(S(=O)(=O)c4ccccc4Br)CC3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.48
POLB P06746 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
GBA1 P04062 2/20 0.38
GPR183 P32249 1/20 0.38
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7658217 0.85 LSS (0.66) LSSKDM4EHSD17B10GBA1GPR183
SCHEMBL6978270 0.85 LSS (0.48) LSSPOLBTRPV1HCRTR1HCRTR2
SCHEMBL7659315 0.82 POLB (0.42) LSSPOLBKDM4EHSD17B10GBA1
SCHEMBL8522043 0.81 LSS (0.48) LSSPOLBTRPV1HCRTR1HCRTR2
SCHEMBL6981493 0.81 LSS (0.69) LSSLMNAKDM4EGBA1GPR183
SCHEMBL6973403 0.74 SORD (0.45) LSSTRPV1LMNAKDM4ECYP1A2
SCHEMBL6977387 0.70 LSS (0.76) LSSPOLBLMNAKDM4EHSD17B10
SCHEMBL6969184 0.70 LSS (0.54) LSSLMNAGBA1GPR183ALDH1A1
SCHEMBL8310420 0.70 LSS (0.66) LSSLMNAGBA1GPR183ALDH1A1
SCHEMBL6980618 0.69 LSS (0.65) LSSLMNAKDM4EGBA1GPR183

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 2 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