SCHEMBL5033309

SCHEMBL5033309

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SCN9A Q15858 3/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
VNN1 O95497 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 2/20 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
KLK7 P49862 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 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
SCHEMBL1970300 1.00 GLA (0.49) GLAHSD17B10SCN9AALDH1A1MEN1
SCHEMBL1969349 0.84 GLA (0.57) GLAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4615244 0.84 GLA (0.57) GLAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4227282 0.81 HSD17B10 (0.54) GLAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4615254 0.81 HSD17B10 (0.54) GLAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL8257885 0.80 SCN9A (0.52) SCN9AALDH1A1VNN1GRM5RECQL
SCHEMBL3387338 0.80 SCN9A (0.52) SCN9AALDH1A1VNN1GRM5RECQL
SCHEMBL3387334 0.80 SCN9A (0.52) SCN9AALDH1A1VNN1GRM5RECQL
SCHEMBL5035285 0.80 SCN9A (0.48) GLAHSD17B10SCN9AALDH1A1MEN1
SCHEMBL1970299 0.80 SCN9A (0.48) GLAHSD17B10SCN9AALDH1A1MEN1

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