SCHEMBL4598472

SCHEMBL4598472

CC(=O)N1CCC(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)CC1.O=C(C=Cc1ccc(F)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.58
CLPP Q16740 1/20 0.58
HSD11B1 P28845 5/20 0.57
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 3/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL193323 0.91 GRM5 (0.70) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL193322 0.91 GRM5 (0.70) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL2600299 0.90 GRM5 (0.71) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL191946 0.90 GRM5 (0.71) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL4598470 0.85 GRM5 (0.60) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL193948 0.82 HSD11B1 (0.78) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL415297 0.82 HSD11B1 (0.78) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL4151187 0.81 HSD11B1 (0.80) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL4151196 0.81 HSD11B1 (0.80) GRM5CLPPHSD11B1POLBMEN1
SCHEMBL4130486 0.80 GRM5 (0.72) GRM5CLPPHSD11B1POLBMEN1

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-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed