SCHEMBL9542902

SCHEMBL9542902

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc2)CC[C@@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41

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
SCHEMBL9543611 0.91 ACE (0.40) ACE
SCHEMBL9542436 0.86 OPRD1 (0.36)
SCHEMBL9544057 0.83 FFAR2 (0.44) ACE
SCHEMBL2038282 0.83 FFAR2 (0.44) ACE
SCHEMBL29788213 0.83 FFAR2 (0.44) ACE
SCHEMBL9544302 0.83 FFAR2 (0.44) ACE
SCHEMBL7950933 0.81 ACE (0.51) ACE
SCHEMBL7950930 0.81 ACE (0.51) ACE
SCHEMBL31092820 0.81 ACE (0.55) ACE
SCHEMBL29443087 0.81 ACE (0.55) ACE

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed