SCHEMBL5133159

SCHEMBL5133159

CC1(C)CCC(c2nc(-c3ccc[nH]3)no2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
CLPP Q16740 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 3/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4094542 0.82 GRM5 (0.65) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971622 0.81 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1969211 0.81 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971547 0.81 GRM5 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1968069 0.80 GRM5 (0.54) GRM5CLPPATML3MBTL1MEN1
SCHEMBL4085502 0.77 GRM5 (0.52) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1972629 0.72 MEN1 (0.74) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971388 0.72 MEN1 (0.74) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1972283 0.72 HSD11B1 (0.73) GRM5CLPPATML3MBTL1MEN1
SCHEMBL1971647 0.72 GRM5 (0.58) GRM5CLPPATML3MBTL1MEN1

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-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed