SCHEMBL7356809

SCHEMBL7356809

CC(C)(C)OC(=O)CNC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 16/20 0.57
ACE2 Q9BYF1 9/20 0.52
CMA1 P23946 1/20 0.50

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
SCHEMBL7352944 0.91 ACE (0.51) ACECMA1
SCHEMBL7352347 0.84 CMA1 (0.47) ACECMA1
SCHEMBL7349272 0.82 CMA1 (0.66) CMA1
SCHEMBL7357635 0.82 CMA1 (0.66) CMA1
SCHEMBL7349280 0.82 CMA1 (0.66) CMA1
SCHEMBL3692085 0.82 ACE (0.77) ACEACE2CMA1
SCHEMBL3692081 0.82 ACE (0.77) ACEACE2CMA1
SCHEMBL5900836 0.82 ACE (0.77) ACEACE2CMA1
SCHEMBL22409423 0.82 ACE (0.77) ACEACE2CMA1
SCHEMBL8378100 0.82 ACE (0.77) ACEACE2CMA1

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-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed