SCHEMBL8484189

SCHEMBL8484189

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.62
MGLL Q99685 3/20 0.62
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL2830265 0.85 CYP1A2 (0.52) MGLLCYP1A2CYP2D6
SCHEMBL8486237 0.84 SMN1; SMN2 (0.52) FAAHMGLLNPC1RAB9ACYP1A2
SCHEMBL8776624 0.84 CYP1A2 (0.61) FAAHMGLLCYP1A2CYP2D6
SCHEMBL9236525 0.82 MGLL (0.51) FAAHMGLLNPC1RAB9ACYP1A2
SCHEMBL8952503 0.82 MGLL (0.48) FAAHMGLLNPC1RAB9ACYP1A2
SCHEMBL9235325 0.82 MGLL (0.51) FAAHMGLLNPC1RAB9ACYP1A2
SCHEMBL2803619 0.81 ALDH1A1 (0.58) FAAHMGLLCYP1A2CYP2D6
SCHEMBL8750701 0.81 MGLL (0.45) FAAHMGLLNPC1RAB9ACYP1A2
SCHEMBL20625250 0.79 GAA (0.51) MGLLCYP1A2CYP2D6
SCHEMBL10195613 0.79 CYP1A2 (0.63) FAAHMGLLCYP1A2CYP2D6

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
US-5952354-A ENZYME INHIBITORS OF CHLOESTEROL ESTER HYDROLASE AND/OR ACYL COENZYME A:CHLOESTEROL ACYLTRANSFERASE; INHIBIT THE ESTERIFICATION OF CHLOESTEROL AND REDUCE ABSORPTION THROUGH THE INTESTINE; CARBAMATES OF 4-8 MEMBERED AZACYCLOALKANOLS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-14 US disclosed
EP-0635501-A1 Tris carbamic acid esters: inhibitors of cholesterol absorption; inhibitors of ACAT and CEH AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-25 EP disclosed