SCHEMBL5035285

SCHEMBL5035285

N=C(NO)C1CCCN(C(=O)c2ccc(F)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GRM5 P41594 2/20 0.43
VNN1 O95497 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1970299 1.00 SCN9A (0.48) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL1969347 0.84 GLA (0.51) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4617157 0.84 GLA (0.51) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4227278 0.81 HSD11B1 (0.50) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL3387338 0.80 SCN9A (0.52) SCN9AALDH1A1GRM5VNN1
SCHEMBL8257885 0.80 SCN9A (0.52) SCN9AALDH1A1GRM5VNN1
SCHEMBL3387334 0.80 SCN9A (0.52) SCN9AALDH1A1GRM5VNN1
SCHEMBL1970300 0.80 GLA (0.49) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL5033309 0.80 GLA (0.49) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL4021340 0.77 HPGD (0.61) ALDH1A1MEN1KMT2AHSD17B10GRM5

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
CN-101218234-B 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) 2011-12-14 CN disclosed
CN-101218234-A 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 PHARMACEUTICALS SA (CH) 2008-07-09 CN disclosed
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