SCHEMBL7424533

SCHEMBL7424533

CC(C)CC(C(=O)O)N(CCn1ccn(CCc2cccc(Cl)c2)c1=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC2A1 P11166 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 1/20 0.35
DAO P14920 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7426141 0.88 TAAR1 (0.38) TAAR1SIGMAR1DAOKMT2AMEN1
SCHEMBL7419980 0.81 AOC3 (0.46) AOC3TAAR1SLC2A1MAPK1MAPT
SCHEMBL7426730 0.79 AOC3 (0.43) AOC3TAAR1SLC2A1MAPK1KMT2A
SCHEMBL7429670 0.78 ACKR3 (0.35) AOC3TAAR1DAOKMT2AKDM4E
SCHEMBL5869287 0.77 MAPK1 (0.44) MAPK1
SCHEMBL5869299 0.77 MAPK1 (0.44) MAPK1
SCHEMBL5869290 0.77 MAPK1 (0.44) MAPK1
SCHEMBL7421892 0.76 NR4A2 (0.51)
SCHEMBL7430634 0.76 AOC3 (0.39) AOC3TAAR1SLC2A1MAPK1
SCHEMBL3681437 0.74 ACE2 (0.48) KDM4EEGLN1

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