SCHEMBL9544580

SCHEMBL9544580

CCCCCCNC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9541777 0.92 MGLL (0.47) MGLLNPC1RAB9AACHE
SCHEMBL9541840 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9543483 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9682837 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9681832 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9542179 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9541815 0.88 NPC1 (0.56) NPC1RAB9A
SCHEMBL9233369 0.87 NPC1 (0.48) MGLLNPC1RAB9AACHE
SCHEMBL8707756 0.87 NPC1 (0.48) MGLLNPC1RAB9AACHE
SCHEMBL8952484 0.83 MGLL (0.46) MGLLACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013067-A1 4-SUBSTITUTED PIPERIDINECARBOXYLIC ACID ESTERS: INHIBITION OF CHOLESTEROL ABSORPTION AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-08 WO claimed
US-5169844-A Enzyme inhibitor, anticholesterol and antilipemic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-08 US claimed
US-5169844-A Enzyme inhibitor, anticholesterol and antilipemic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-08 US disclosed