SCHEMBL8153256

SCHEMBL8153256

N#Cc1cccc(C[C@H](C(N)=O)N(Cc2cccc(Cn3c(=O)n(-c4ccccc4)n(-c4ccccc4)c3=O)c2)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.41
ADRA1D P25100 1/20 0.37
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR2 P41597 1/20 0.36
GNRHR P30968 2/20 0.36
ERCC5 P28715 1/20 0.36
TNF P01375 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
FOLH1 Q04609 1/20 0.35
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CFTR P13569 1/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
DPP4 P27487 2/20 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
SCHEMBL8143580 0.85 FEN1 (0.39) FEN1ADRA1DMEP1AMEP1BCCR2
Hydrochloric Acid SCHEMBL8121395 0.85 F10 (0.39)
SCHEMBL8119549 0.82 FOLH1 (0.39) ADRA1DMEP1AMEP1BSLC6A2SLC6A4
SCHEMBL8526179 0.81 CNR1 (0.40) ADRA1DMEP1AMEP1BSLC6A2SLC6A4
SCHEMBL8528339 0.81 CNR1 (0.40) ADRA1DMEP1AMEP1BSLC6A2SLC6A4
SCHEMBL8122359 0.81 EPOR (0.39) GNRHRMEN1KMT2AKLK1
SCHEMBL8138694 0.81 TDP1 (0.39) ADRA1DSLC6A2SLC6A4KMT2A
SCHEMBL7039830 0.79 MAOA (0.39) MEP1AMEP1BSLC6A2SLC6A4FOLH1
SCHEMBL9272309 0.79 MEN1 (0.34) GNRHRMEN1KMT2ADPP7DPP8
SCHEMBL8120161 0.77 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed