SCHEMBL4688703

SCHEMBL4688703

COc1cc([N+](=O)[O-])ccc1Oc1ccc(N(C)C(=O)c2ccc(OC34CCCC(CC3)N4C(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TTR P02766 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
MCHR1 Q99705 2/20 0.34
RAF1 P04049 1/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
TBXA2R P21731 2/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL4231972 0.92 ALDH1A1 (0.40) MEN1KMT2ATTRALDH1A1MAPT
SCHEMBL4226767 0.87 ALDH1A1 (0.36) MEN1KMT2ATTRALDH1A1MAPT
SCHEMBL4688699 0.84 MMP13 (0.42) MEN1KMT2AALDH1A1MAPTKCNH2
SCHEMBL4238819 0.81 MEN1 (0.41) MEN1KMT2ATTRALDH1A1MAPT
SCHEMBL4235504 0.81 ALDH1A1 (0.41) MEN1KMT2ATTRALDH1A1MAPT
SCHEMBL4232271 0.79 MCHR1 (0.38) KMT2ATTRMETMCHR1LPAR1
SCHEMBL4236267 0.78 KCNH2 (0.36) MEN1KMT2ATTRALDH1A1KCNH2
SCHEMBL4233730 0.78 KCNH2 (0.36) MEN1KMT2ATTRALDH1A1MAPT
SCHEMBL4237116 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTMET
SCHEMBL4236537 0.73 MAPT (0.44) MEN1KMT2AALDH1A1MAPTL3MBTL1

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