SCHEMBL7372945

SCHEMBL7372945

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 0.33
LAP3 P28838 3/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GPR88 Q9GZN0 1/20 0.31
F7 P08709 2/20 0.31
BCAT2 O15382 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL7375836 0.91 GPR88 (0.33) SLC1A2SLC1A1GPR88BCAT2
SCHEMBL7376531 0.89 BCAT2 (0.33) SLC1A2SLC1A1F7BCAT2F2
SCHEMBL7368634 0.87 EPHX1 (0.36) ANPEPRNPEPDNPEPSLC1A2SLC1A1
SCHEMBL7372930 0.86 BCAT2 (0.34) ANPEPSLC1A2SLC1A1GPR88F7
SCHEMBL7373889 0.83 SMN1; SMN2 (0.38) SLC1A2SLC1A1F7BCAT2
SCHEMBL7373098 0.74 SMN1; SMN2 (0.33)
SCHEMBL9128947 0.70 NPY4R (0.44) ANPEP
SCHEMBL8169663 0.66 LMNA (0.37) BCAT2
SCHEMBL8174677 0.65 TPSAB1 (0.39) BCAT2
SCHEMBL9213580 0.63 CYP2D6 (0.42)

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-0749316-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-04-21 EP disclosed
EP-0749316-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995023608-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed