SCHEMBL13770906

SCHEMBL13770906

C=CC(=O)[C@@H](NC(=O)CNC(=O)C(O)C(N)CCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.39
METAP1 P53582 7/20 0.39
LAP3 P28838 2/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
GPR139 Q6DWJ6 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR88 Q9GZN0 2/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 2/20 0.35

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
SCHEMBL13770899 0.87 METAP2 (0.42) METAP2METAP1LAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL3210982 0.86 GPR88 (0.46) METAP2METAP1LAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL3207851 0.85 MMP2 (0.46) METAP2METAP1LAP3ANPEPRNPEP
SCHEMBL13688424 0.84 GPR88 (0.47) METAP2METAP1LAP3ANPEPRNPEP
SCHEMBL3223600 0.84 GPR88 (0.47) METAP2METAP1LAP3ANPEPRNPEP
SCHEMBL13688417 0.82 GPR139 (0.55) GPR139MEN1KMT2AATM
SCHEMBL10173854 0.81 METAP2 (0.41) METAP2METAP1LAP3ANPEPRNPEP
SCHEMBL8352593 0.81 NPC1 (0.42) GPR88
SCHEMBL13707848 0.81 CTSL (0.44) METAP2METAP1LAP3ANPEPRNPEP
Hydrochloric Acid SCHEMBL3215065 0.81 GPR139 (0.54) GPR139MEN1KMT2AATM

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