SCHEMBL7426149

SCHEMBL7426149

CC(C)CC(NCC(C(=O)O)n1ccn(CCc2cccc(F)c2)c1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP3 P08254 1/20 0.42
ANPEP P15144 1/20 0.40
MAPK14 Q16539 1/20 0.37
NTSR1 P30989 2/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
FOLH1 Q04609 1/20 0.35
CTSL P07711 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PPARG P37231 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
SCHEMBL7424540 0.89 MAPK1 (0.42) NTSR1FOLH1
SCHEMBL7429682 0.84 NTSR1 (0.37) MMP1MMP9MMP3MAPK14NTSR1
SCHEMBL5870191 0.82 MMP1 (0.48) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5870188 0.82 MMP1 (0.48) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869703 0.82 MMP1 (0.48) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL7426141 0.73 TAAR1 (0.38) MMP1MMP9MMP3ANPEPSLC6A3
SCHEMBL5869912 0.71 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869761 0.71 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869767 0.71 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869287 0.70 MAPK1 (0.44) MMP1MMP9MMP3NTSR1FOLH1

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 disclosed