SCHEMBL7142436

SCHEMBL7142436

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.46
KCNH2 Q12809 2/20 0.40
TACR3 P29371 4/20 0.38
MGLL Q99685 1/20 0.38
NPY2R P49146 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6446588 0.87 LSS (0.55) LSSKCNH2MGLLNPY2RGAA
SCHEMBL7141682 0.85 MGLL (0.44) LSSMGLL
SCHEMBL7145847 0.84 LSS (0.45) LSSMGLLNPY2RGAA
SCHEMBL6449787 0.83 LSS (0.62) LSSNPY2RGAA
SCHEMBL7202905 0.82 LSS (0.69) LSSKCNH2
SCHEMBL6450155 0.81 LSS (0.68) LSSNPY2R
SCHEMBL6449244 0.80 LSS (0.52) LSSNPY2RGAA
SCHEMBL6448141 0.80 LSS (0.52) LSSMGLLNPY2RGAA
SCHEMBL6450779 0.80 LSS (0.61) LSSMGLLNPY2RGAA
SCHEMBL6446450 0.80 LSS (0.56) LSSNPY2R

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