SCHEMBL7424540

SCHEMBL7424540

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC2A1 P11166 2/20 0.36
MASP2 O00187 1/20 0.36
FOLH1 Q04609 1/20 0.35
ACE2 Q9BYF1 4/20 0.35
ACE P12821 3/20 0.35
HTRA1 Q92743 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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 0.89 MMP1 (0.42) NTSR1FOLH1
SCHEMBL5869290 0.82 MAPK1 (0.44) MAPK1NTSR1OPRK1FOLH1ACE2
SCHEMBL5869287 0.82 MAPK1 (0.44) MAPK1NTSR1OPRK1FOLH1ACE2
SCHEMBL5869299 0.82 MAPK1 (0.44) MAPK1NTSR1OPRK1FOLH1ACE2
SCHEMBL7429682 0.80 NTSR1 (0.37) NTSR1
SCHEMBL7424533 0.73 AOC3 (0.39) MAPK1SLC2A1ALDH1A1TAAR1
SCHEMBL5869641 0.71 ACE2 (0.48) MAPK1NTSR1ACE2ACEGRN
SCHEMBL5869646 0.71 ACE2 (0.48) MAPK1NTSR1ACE2ACEGRN
SCHEMBL5869636 0.71 ACE2 (0.48) MAPK1NTSR1ACE2ACEGRN
SCHEMBL5870188 0.70 MMP1 (0.48) NTSR1FOLH1

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