SCHEMBL4621790

SCHEMBL4621790

COc1cccc(C(=O)N2CCC[C@H](c3nc(Oc4ccccc4)no3)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.68
▸ GAA P10253 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ NPC1 O15118 5/20 0.61
▸ TSHR P16473 3/20 0.59
▸ HSD11B1 P28845 2/20 0.58
▸ GRM5 P41594 1/20 0.57
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL3141341 0.91 L3MBTL1 (0.74) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL3141331 0.91 L3MBTL1 (0.74) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL3137493 0.91 ALDH1A1 (0.66) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL3137500 0.91 ALDH1A1 (0.66) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL4645880 0.89 L3MBTL1 (0.68) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL4645872 0.89 L3MBTL1 (0.68) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL4646180 0.86 HSD11B1 (0.60) ALDH1A1NPC1TSHRHSD11B1GRM5
SCHEMBL4646170 0.86 HSD11B1 (0.60) ALDH1A1NPC1TSHRHSD11B1GRM5
SCHEMBL3138077 0.85 HSD11B1 (0.58) ALDH1A1GAAL3MBTL1NPC1TSHR
SCHEMBL3138067 0.85 HSD11B1 (0.58) ALDH1A1GAAL3MBTL1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP claimed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO claimed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO disclosed
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