SCHEMBL11061682

SCHEMBL11061682

CCOC(=O)CN1C(=O)[C@@H](NC(=O)OCc2ccccc2)CSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.56
MME P08473 3/20 0.56
NPSR1 Q6W5P4 1/20 0.54
XIAP P98170 1/20 0.47
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
F2 P00734 1/20 0.46
PREP P48147 1/20 0.44

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
SCHEMBL7864412 1.00 ACE (0.56) ACEMMENPSR1XIAPF7
SCHEMBL7864413 1.00 ACE (0.56) ACEMMENPSR1XIAPF7
SCHEMBL11067510 0.92 ACE (0.55) ACEMMENPSR1XIAPF7
SCHEMBL7872618 0.92 ACE (0.47) ACEMMENPSR1XIAPPREP
SCHEMBL7872616 0.92 ACE (0.47) ACEMMENPSR1XIAPPREP
SCHEMBL10855859 0.89 ACE (0.52) ACEMMEXIAPF7F3
SCHEMBL10855731 0.89 ACE (0.52) ACEMMEXIAPF7F3
SCHEMBL10851201 0.85 ACE (0.51) ACEMMENPSR1XIAP
SCHEMBL10851205 0.85 ACE (0.51) ACEMMENPSR1XIAP
SCHEMBL8837702 0.83 ACE (0.67) ACEMMEXIAPF7F3

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-4477464-A Hetero-benzazepine derivatives and their pharmaceutical use CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed