SCHEMBL4644196

SCHEMBL4644196

Cc1ccc(C(=O)N2CCCC(c3nc(Oc4cccc(F)c4)no3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ GRM5 P41594 3/20 0.59
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CLPP Q16740 1/20 0.55
▸ ATM Q13315 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ HPGD P15428 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL4644183 1.00 RAB9A (0.67) RAB9AL3MBTL1GRM5ALDH1A1TSHR
SCHEMBL3140639 0.94 GRM5 (0.63) RAB9AL3MBTL1GRM5TSHRMEN1
SCHEMBL3146200 0.94 GRM5 (0.63) RAB9AL3MBTL1GRM5TSHRMEN1
SCHEMBL3130701 0.92 L3MBTL1 (0.67) RAB9AL3MBTL1GRM5ALDH1A1TSHR
SCHEMBL3130688 0.92 L3MBTL1 (0.67) RAB9AL3MBTL1GRM5ALDH1A1TSHR
SCHEMBL3130199 0.92 L3MBTL1 (0.63) RAB9AL3MBTL1GRM5ALDH1A1TSHR
SCHEMBL3130211 0.92 L3MBTL1 (0.63) RAB9AL3MBTL1GRM5ALDH1A1TSHR
SCHEMBL3145568 0.91 HSD11B1 (0.60) RAB9AL3MBTL1GRM5MEN1KMT2A
SCHEMBL3145575 0.91 HSD11B1 (0.60) RAB9AL3MBTL1GRM5MEN1KMT2A
SCHEMBL3137406 0.91 L3MBTL1 (0.60) RAB9AL3MBTL1GRM5ALDH1A1TSHR

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
Send feedback