SCHEMBL7145847

SCHEMBL7145847

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.45
GAA P10253 1/20 0.39
MGLL Q99685 1/20 0.39
NPY2R P49146 1/20 0.37
TRPA1 O75762 1/20 0.37
SRD5A1 P18405 2/20 0.37
FAAH O00519 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
SCHEMBL7142947 0.87 LSS (0.39) LSSGAAMGLLTRPA1FAAH
SCHEMBL6447603 0.87 LSS (0.55) LSSGAAMGLLNPY2RTRPA1
SCHEMBL7139780 0.84 MGLL (0.46) LSSMGLL
SCHEMBL7142436 0.84 LSS (0.46) LSSGAAMGLLNPY2R
SCHEMBL6450336 0.82 LSS (0.49) LSSGAANPY2RFAAH
SCHEMBL6450231 0.80 LSS (0.50) LSSNPY2RFAAH
SCHEMBL6447566 0.80 LSS (0.61) LSSGAAMGLLNPY2RTRPA1
SCHEMBL6449189 0.78 LSS (0.70) LSSGAAMGLLNPY2RTRPA1
SCHEMBL2618043 0.77 GAA (0.51) GAAMGLLNPY2RTRPA1FAAH
SCHEMBL7147952 0.77 FAAH (0.41) GAAMGLLNPY2RTRPA1FAAH

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