SCHEMBL8844800

SCHEMBL8844800

CCCCCCN(CCCCCC)CC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.50
NPY2R P49146 4/20 0.44
LIPE Q05469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8844754 0.87 NPC1 (0.63) NPC1RAB9AGAANPY2RLIPE
SCHEMBL8844794 0.81 NPC1 (0.67) NPC1RAB9AGAANPY2RLIPE
SCHEMBL8845027 0.81 NPC1 (0.71) NPC1RAB9AGAANPY2RLIPE
SCHEMBL28788179 0.78 GAA (0.63) NPC1RAB9AGAANPY2R
SCHEMBL8844965 0.77 NPC1 (0.72) NPC1RAB9AGAALIPESMN1; SMN2
SCHEMBL8844771 0.76 NPC1 (0.71) NPC1RAB9AGAALIPESMN1; SMN2
SCHEMBL14389792 0.76 GAA (0.67) NPC1RAB9AGAANPY2R
SCHEMBL9682837 0.76 NPC1 (0.54) NPC1RAB9AGAA
SCHEMBL9543483 0.76 NPC1 (0.54) NPC1RAB9AGAA
SCHEMBL9681832 0.76 NPC1 (0.54) NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US claimed
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US disclosed
US-5512565-A REDUCE CHOLESTEROL ABSORPTION IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed