SCHEMBL7299201

SCHEMBL7299201

O=C(O)OC1CCCN1C(=O)CCCC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.55
MVD P53602 2/20 0.46
ACE2 Q9BYF1 1/20 0.45
RAB9A P51151 1/20 0.43
REN P00797 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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 0.97 ACE (0.55) ACEMVDRAB9ARENCHRM2
SCHEMBL7297993 0.96 ACE (0.54) ACEMVDRAB9ARENCHRM2
SCHEMBL6794104 0.87 ACE (0.68) ACEMVDACE2REN
SCHEMBL7299197 0.87 ACE (0.68) ACEMVDACE2REN
SCHEMBL6794095 0.87 ACE (0.68) ACEMVDACE2REN
Miridesap SCHEMBL1537496 0.84 ACE (0.68) ACEMVDRENCHRM2CHRM4
Miridesap SCHEMBL1685022 0.84 ACE (0.68) ACEMVDRENCHRM2CHRM4
Miridesap SCHEMBL6788714 0.84 ACE (0.68) ACEMVDRENCHRM2CHRM4
Miridesap SCHEMBL1537499 0.84 ACE (0.68) ACEMVDRENCHRM2CHRM4
SCHEMBL11559923 0.83 ACE (0.62) ACEMVDACE2REN

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