SCHEMBL7429682

SCHEMBL7429682

CC(C)CC(NCC(C(=O)O)n1ccn(CCc2ccccc2F)c1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 3/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPK14 Q16539 1/20 0.34
MMP1 P03956 4/20 0.34
MMP9 P14780 4/20 0.34
PTPN1 P18031 3/20 0.34
PTPN2 P17706 2/20 0.34
CDC25B P30305 2/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
MMP3 P08254 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7426149 0.84 MMP1 (0.42) NTSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5869411 0.80 MMP1 (0.39) NTSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5869421 0.80 MMP1 (0.39) NTSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5869408 0.80 MMP1 (0.39) NTSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL7424540 0.80 MAPK1 (0.42) NTSR1
SCHEMBL7429670 0.71 ACKR3 (0.35) NPSR1
SCHEMBL7374947 0.67 ACE2 (0.39) NTSR1NPSR1
SCHEMBL7426808 0.66 MMP1 (0.46) NTSR1MMP1MMP9MMP3
SCHEMBL5870191 0.65 MMP1 (0.48) NTSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5869703 0.65 MMP1 (0.48) NTSR1PSEN1PSEN2APH1BNCSTN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed