SCHEMBL8528339

SCHEMBL8528339

N#Cc1cccc(C[C@H](C(N)=O)N(Cc2ccc(CC(N)=O)cc2)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
TNF P01375 1/20 0.39
LMNA P02545 2/20 0.39
FOLH1 Q04609 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NR1H3 Q13133 1/20 0.37
EPHX1 P07099 1/20 0.36
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
PIN1 Q13526 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1D P25100 1/20 0.35
CNR2 P34972 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR1 O14842 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
SCHEMBL8526179 0.94 CNR1 (0.40) CNR1TNFLMNAFOLH1SLC6A2
SCHEMBL8119549 0.91 FOLH1 (0.39) CNR1TNFLMNAFOLH1SLC6A2
SCHEMBL7039830 0.88 MAOA (0.39) CNR1FOLH1SLC6A2SLC6A4MEP1A
SCHEMBL8526150 0.83 PLAU (0.41) NR1H3
SCHEMBL8153256 0.81 FEN1 (0.41) TNFFOLH1SLC6A2SLC6A4MEP1A
SCHEMBL9272418 0.78 SNCA (0.48) NR1H3EPHX1MAOBTDP1
SCHEMBL8138694 0.77 TDP1 (0.39) CNR1SLC6A2SLC6A4KMT2AADRA1D
SCHEMBL8119790 0.77 EPHX1 (0.44) EPHX1MEN1KMT2ATDP1
SCHEMBL8121716 0.76 SLC6A4 (0.43) FOLH1SLC6A4NR1H3MEP1BMAOB
SCHEMBL8525859 0.75 TDP1 (0.40) NR1H3MEN1KMT2ATDP1

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed