SCHEMBL4686338

SCHEMBL4686338

CN(C)CCOc1cc([N+](=O)[O-])ccc1Oc1ccc(NC(=O)O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPT P10636 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
EGFR P00533 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL4686343 1.00 GAA (0.46) GAAKDM4EHRH3CHRNB2CHRNA4
SCHEMBL4684087 0.87 ALDH1A1 (0.47) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4684093 0.87 ALDH1A1 (0.47) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4741030 0.84 HRH3 (0.48) GAAKDM4EHRH3ALDH1A1EGFR
SCHEMBL4686742 0.82 HTT (0.56) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4686748 0.82 HTT (0.56) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4688745 0.80 MEN1 (0.47) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4688753 0.80 MEN1 (0.47) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4682865 0.79 MEN1 (0.58) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL4682855 0.79 MEN1 (0.58) GAAKDM4EMAPTMEN1KMT2A

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed