SCHEMBL28856332

SCHEMBL28856332

O=C(O)N1CC=CCC1Br

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 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
SCHEMBL28200411 0.76 ACE (0.34) ACE
SCHEMBL29183121 0.74 TSHR (0.34) ACE
SCHEMBL3390185 0.74 ACE (0.33) ACE
SCHEMBL17336127 0.74 ACE (0.33) ACE
SCHEMBL30565809 0.74 TSHR (0.34) ACE
SCHEMBL3390437 0.71 POLB (0.34) ACE
SCHEMBL25391662 0.69
SCHEMBL29116016 0.67 RIPK1 (0.41)
SCHEMBL4555330 0.66
SCHEMBL21540166 0.63 ATM (0.44) 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
CN-107580595-A Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2018-01-12 CN disclosed