SCHEMBL7368634

SCHEMBL7368634

N=C(N)NCC(Cc1ccccc1)C[C@H](N)C(=O)C(O[C]=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MMP2 P08253 4/20 0.36
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSC P53634 1/20 0.33
BCAT2 O15382 1/20 0.33
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
PLAU P00749 1/20 0.32
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
DNPEP Q9ULA0 1/20 0.32

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
SCHEMBL7376531 0.89 BCAT2 (0.33) PKMSLC1A2SLC1A1BCAT2
SCHEMBL7375836 0.88 GPR88 (0.33) SLC1A2SLC1A1BCAT2
SCHEMBL7372945 0.87 POLB (0.33) SLC1A2SLC1A1BCAT2ANPEPRNPEP
SCHEMBL7373889 0.86 SMN1; SMN2 (0.38) PKMMTNR1AMTNR1BSLC1A2SLC1A1
SCHEMBL7372930 0.85 BCAT2 (0.34) PKMSLC1A2SLC1A1BCAT2F9
SCHEMBL7373098 0.76 SMN1; SMN2 (0.33)
SCHEMBL9128947 0.70 NPY4R (0.44) ANPEP
SCHEMBL28547644 0.70 SLC1A3 (0.40) MMP2ALPIPKMPTGS1XIAP
SCHEMBL28547642 0.70 SLC1A3 (0.40) MMP2ALPIPKMPTGS1XIAP
SCHEMBL8169663 0.68 LMNA (0.37) PKMBCAT2

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