SCHEMBL7142947

SCHEMBL7142947

C=CCN(C)CC#CCC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.39
GAA P10253 1/20 0.38
TRPA1 O75762 1/20 0.36
CASP3 P42574 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7145847 0.87 LSS (0.45) LSSGAATRPA1FAAHMGLL
SCHEMBL6450140 0.87 LSS (0.43) LSSGAATRPA1CASP3MGLL
SCHEMBL7143062 0.85 LSS (0.46) LSSMGLLMEN1ALDH1A1LMNA
SCHEMBL6446568 0.80 LSS (0.43) LSSGAAMEN1ALDH1A1LMNA
SCHEMBL6447732 0.80 LSS (0.47) LSSGAATRPA1CASP3MGLL
SCHEMBL6450314 0.80 LSS (0.44) LSSGAAFAAH
SCHEMBL6448108 0.80 LSS (0.46) LSSFAAHMEN1ALDH1A1LMNA
SCHEMBL6449461 0.80 LSS (0.47) LSSMEN1ALDH1A1LMNAHPGD
SCHEMBL7142436 0.79 LSS (0.46) LSSGAAMGLL
SCHEMBL6447639 0.79 LSS (0.54) LSSGAAMEN1ALDH1A1LMNA

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-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed