SCHEMBL7147952

SCHEMBL7147952

CS(=O)(=O)OCC#CCC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
MGLL Q99685 2/20 0.41
NPY2R P49146 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL6450860 0.86 GAA (0.41) FAAHMGLLNPY2RGAAPOLB
SCHEMBL1244496 0.78 TRPA1 (0.47) FAAHMGLLGAAPOLBALDH1A1
SCHEMBL6447767 0.78 LSS (0.41) FAAHMGLLNPY2RGAAALDH1A1
SCHEMBL7145847 0.77 LSS (0.45) FAAHMGLLNPY2RGAATRPA1
SCHEMBL2618043 0.76 GAA (0.51) FAAHMGLLNPY2RGAAPOLB
SCHEMBL7142947 0.76 LSS (0.39) FAAHMGLLGAAALDH1A1TRPA1
SCHEMBL7144981 0.76 GPR119 (0.47) KDM4E
SCHEMBL7142436 0.76 LSS (0.46) MGLLNPY2RGAA
SCHEMBL10458902 0.72 GAA (0.72) GAAPOLBALDH1A1SMN1; SMN2TRPA1
SCHEMBL7039131 0.71 LSS (0.47) FAAHMGLLGAA

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