SCHEMBL4647105

SCHEMBL4647105

Cc1ccccc1C(=O)N1CCCC(c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 11/20 0.72
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ TSHR P16473 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4647096 1.00 HSD11B1 (0.72) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL3142320 0.91 HSD11B1 (0.61) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL3142302 0.91 HSD11B1 (0.61) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL4645685 0.89 NPC1 (0.69) HSD11B1NPC1TSHRMEN1CYP3A4
SCHEMBL4645676 0.89 NPC1 (0.69) HSD11B1NPC1TSHRMEN1CYP3A4
SCHEMBL4649008 0.89 HSD11B1 (0.57) HSD11B1NPC1TSHRALDH1A1TP53
SCHEMBL4649006 0.89 HSD11B1 (0.57) HSD11B1NPC1TSHRALDH1A1TP53
SCHEMBL3140714 0.89 HSD11B1 (0.57) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL3140708 0.89 HSD11B1 (0.57) HSD11B1NPC1RAB9ATSHRALDH1A1
SCHEMBL4646170 0.87 HSD11B1 (0.60) HSD11B1NPC1RAB9ATSHRALDH1A1

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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