SCHEMBL9544776

SCHEMBL9544776

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N(CCCc1ccccc1)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40

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
SCHEMBL9544913 0.95 ACE (0.41) ACE
SCHEMBL9543652 0.92 ACE (0.38) ACE
SCHEMBL9544100 0.89 JAK2 (0.40)
SCHEMBL9544284 0.89 DRD4 (0.43)
SCHEMBL9544292 0.88 ALDH1A1 (0.48)
SCHEMBL9542641 0.87 ACE (0.43) ACE
SCHEMBL9544945 0.87 ACE (0.39) ACE
SCHEMBL9542649 0.86 PREP (0.39) ACE
SCHEMBL9543607 0.86 ALDH1A1 (0.39)
SCHEMBL9543445 0.86 DRD4 (0.41)

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