SCHEMBL7297993

SCHEMBL7297993

O=C(O)O[C@@H]1CCCN1C(=O)CCCCCC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
MVD P53602 2/20 0.45
SPHK1 Q9NYA1 1/20 0.44
RAB9A P51151 1/20 0.43
REN P00797 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL2444893 0.99 ACE (0.55) ACEMVDSPHK1RAB9AREN
SCHEMBL7299201 0.96 ACE (0.55) ACEMVDRAB9ARENCHRM2
SCHEMBL6784027 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6784032 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6789294 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6789458 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL7298458 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6783037 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6789464 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2
SCHEMBL6783030 0.88 ACE (0.66) ACEMVDSPHK1RENCHRM2

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-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP claimed