SCHEMBL5045831

SCHEMBL5045831

C=CCCNCCCCOC1CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.52
NAMPT P43490 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.40
EPHX2 P34913 1/20 0.40
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR183 P32249 1/20 0.38

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
SCHEMBL7768094 0.99 LSS (0.53) LSSNAMPTL3MBTL3L3MBTL1KMT2A
SCHEMBL27499031 0.85 LSS (0.39) LSSNAMPTL3MBTL1POLBMGLL
SCHEMBL7768101 0.85 ALDH1A1 (0.41) LSSKMT2ALMNAALDH1A1
SCHEMBL27578406 0.79 LSS (0.39) LSSHPGDLMNAALDH1A1
SCHEMBL27578407 0.79 LSS (0.39) LSSHPGDLMNAALDH1A1
SCHEMBL27500251 0.79 LSS (0.40) LSSNAMPTKMT2A
SCHEMBL5045824 0.79 LSS (0.80) LSSKMT2A
SCHEMBL27596324 0.79 LSS (0.40) LSSHPGDLMNA
SCHEMBL27596322 0.79 LSS (0.40) LSSHPGDLMNA
SCHEMBL27596279 0.79 LSS (0.40) LSSHPGDLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317432-B1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed