SCHEMBL5764007

SCHEMBL5764007

COc1ccc(-c2noc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1.COc1ccc(-c2noc(C3CCCNC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HTT P42858 3/20 0.58
POLB P06746 2/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 5/20 0.57
TSHR P16473 4/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.54
USP2 O75604 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
SCHEMBL193587 0.92 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25401566 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL192613 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22280436 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5769537 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193523 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL192156 0.82 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193516 0.82 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193106 0.82 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193158 0.82 HSD11B1 (0.70) ALDH1A1GAAKDM4E

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
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed