SCHEMBL4620646

SCHEMBL4620646

O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.67
▸ CLPP Q16740 1/20 0.67
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ HSD11B1 P28845 3/20 0.60
▸ POLB P06746 1/20 0.56
▸ TSHR P16473 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PKM P14618 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
SCHEMBL3137282 1.00 GRM5 (0.67) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3141089 0.95 GRM5 (0.70) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3140639 0.92 GRM5 (0.63) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3146200 0.92 GRM5 (0.63) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3141476 0.91 L3MBTL1 (0.58) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3141460 0.91 L3MBTL1 (0.58) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL4646170 0.90 HSD11B1 (0.60) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL4646180 0.90 HSD11B1 (0.60) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL3131589 0.90 HSD11B1 (0.72) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL3131598 0.90 HSD11B1 (0.72) GRM5CLPPMEN1KMT2AHSD11B1

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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