SCHEMBL5145071

SCHEMBL5145071

O=C(O)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)no2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
CLPP Q16740 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD11B1 P28845 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL1971215 0.88 GRM5 (0.73) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL1971211 0.88 GRM5 (0.73) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL5130289 0.87 GRM5 (0.52) GRM5HSD11B1RAB9ATSHRALDH1A1
SCHEMBL1970239 0.85 GRM5 (0.61) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL1974360 0.85 GRM5 (0.48) GRM5CLPPMEN1KMT2APOLB
SCHEMBL1974358 0.85 GRM5 (0.48) GRM5CLPPMEN1KMT2APOLB
SCHEMBL1969645 0.85 GRM5 (0.61) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL1975121 0.85 GRM5 (0.57) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL1975119 0.85 GRM5 (0.57) GRM5CLPPMEN1KMT2AHSD11B1
SCHEMBL1971577 0.84 GRM5 (0.59) 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 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