SCHEMBL13770905

SCHEMBL13770905

CCCC(NCl)C(O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 8/20 0.45
AOC3 Q16853 1/20 0.41
GPR139 Q6DWJ6 3/20 0.38
CTSD P07339 3/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3220240 0.91 GPR88 (0.45) GPR88AOC3GPR139ATMMEN1
Hydrochloric Acid SCHEMBL3210982 0.85 GPR88 (0.46) GPR88GPR139ATMPOLB
SCHEMBL13770904 0.85 CTSK (0.47) GPR88
SCHEMBL13711058 0.84 CTSL (0.43) GPR88CTSD
SCHEMBL10174287 0.84 CTSD (0.41) GPR88CTSD
SCHEMBL3213229 0.80 MMP2 (0.46) GPR88AOC3GPR139ATMMEN1
SCHEMBL13770899 0.77 METAP2 (0.42) GPR88GPR139ATMMEN1KMT2A
SCHEMBL13980019 0.77 GPR88 (0.45) GPR88AOC3POLB
SCHEMBL3214499 0.76 GPR139 (0.54) GPR139ATMMEN1KMT2APOLB
SCHEMBL8244173 0.76 GPR88 (0.45) GPR88GPR139POLB

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
EP-1301486-B1 IMIDAZOLIDINONES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2009-07-01 EP disclosed