SCHEMBL8750701

SCHEMBL8750701

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCN(C(=O)OCCCCCCN(C(=O)O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCHE P06276 2/20 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
SCHEMBL8952503 0.84 MGLL (0.48) MGLLFAAHMEN1KMT2ASMN1; SMN2
SCHEMBL8484189 0.81 FAAH (0.62) MGLLFAAHCYP1A2CYP2D6NPC1
SCHEMBL8755301 0.80 RAB9A (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8755579 0.79 TSHR (0.38) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL8757603 0.78 EPHX1 (0.39) SMN1; SMN2NPC1RAB9A
SCHEMBL9235325 0.78 MGLL (0.51) MGLLFAAHCYP1A2CYP2D6NPC1
SCHEMBL9236525 0.78 MGLL (0.51) MGLLFAAHCYP1A2CYP2D6NPC1
SCHEMBL8750598 0.77 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL8750569 0.77 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL8486237 0.77 SMN1; SMN2 (0.52) MGLLFAAHSMN1; SMN2CYP1A2CYP2D6

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
EP-0765312-A1 4-CARBAMOYLOXY-PIPERIDINE-1-CARBOXYLIC ACID ESTERS: INHIBITORS OF CHOLESTEROL ABSORPTION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-04-02 EP disclosed
US-5527804-A 4-carbamoyloxy-piperidine-1-carboxylic acid esters: inhibitors or cholesterol absorption AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-18 US disclosed
WO-1995034539-A1 4-CARBAMOYLOXY-PIPERIDINE-1-CARBOXYLIC ACID ESTERS: INHIBITORS OF CHOLESTEROL ABSORPTION AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-21 WO disclosed