SCHEMBL7724648

SCHEMBL7724648

CCCC(N)C(O)C(=O)NCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
DNPEP Q9ULA0 2/20 0.47
METAP2 P50579 10/20 0.40
METAP1 P53582 5/20 0.39
LAP3 P28838 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
DPP7 Q9UHL4 3/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RRM1 P23921 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC15A1 P46059 1/20 0.34
DPP4 P27487 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
Hydrochloric Acid SCHEMBL14974409 0.98 ANPEP (0.46) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL12442850 0.83 ALDH1A1 (0.44) ANPEPDNPEPMETAP2METAP1LAP3
Hydrochloric Acid SCHEMBL14974306 0.82 DPP7 (0.53) ANPEPDNPEPMETAP2LAP3RNPEP
Hydrochloric Acid SCHEMBL14974473 0.82 ANPEP (0.44) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL8138370 0.82 METAP2 (0.42) ANPEPDNPEPMETAP2METAP1DPP7
SCHEMBL12413226 0.82 METAP2 (0.42) ANPEPDNPEPMETAP2METAP1DPP7
SCHEMBL13934155 0.80 ANPEP (0.41) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL14974373 0.80 ANPEP (0.41) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL8280558 0.80 ANPEP (0.41) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL7734253 0.80 BIRC2 (0.44) ANPEPDNPEPMETAP2METAP1LAP3

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
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 US disclosed