SCHEMBL11045862

SCHEMBL11045862

O=C(O)[C@@H]1CCc2ccccc2N1C(=O)CCS

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.64

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
SCHEMBL11045722 1.00 ACE (0.64) ACE
SCHEMBL11049197 0.99 ACE (0.62) ACE
SCHEMBL11048719 0.89 ACE (0.67) ACE
SCHEMBL11049193 0.87 ACE (0.49) ACE
SCHEMBL10908646 0.86 ACE (0.62) ACE
SCHEMBL10909502 0.86 ACE (0.62) ACE
SCHEMBL11187464 0.83 ACE (0.60) ACE
SCHEMBL11052960 0.82 ACE (0.58) ACE
SCHEMBL11047965 0.81 ACE (0.55) ACE
SCHEMBL11043199 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
US-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 US disclosed