SCHEMBL7375836

SCHEMBL7375836

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 9/20 0.33
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
BCAT2 O15382 1/20 0.32
AOC3 Q16853 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CASR P41180 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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 0.92 BCAT2 (0.33) SLC1A2SLC1A1BCAT2SMN1; SMN2LMNA
SCHEMBL7372945 0.91 POLB (0.33) GPR88SLC1A2SLC1A1BCAT2
SCHEMBL7368634 0.88 EPHX1 (0.36) SLC1A2SLC1A1BCAT2
SCHEMBL7372930 0.85 BCAT2 (0.34) GPR88SLC1A2SLC1A1BCAT2SMN1; SMN2
SCHEMBL7373889 0.84 SMN1; SMN2 (0.38) SLC1A2SLC1A1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL7373098 0.74 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9818565 0.73 SLC1A1 (0.49) SLC1A2SLC1A1
SCHEMBL9128947 0.71 NPY4R (0.44)
SCHEMBL8169663 0.67 LMNA (0.37) BCAT2SMN1; SMN2LMNAALDH1A1
SCHEMBL18554631 0.66 PKM (0.50) GPR88LMNAALDH1A1

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