SCHEMBL8319633

SCHEMBL8319633

CC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 18/20 0.68
ABCB11 O95342 1/20 0.64
PDE3A Q14432 1/20 0.51
LMNA P02545 1/20 0.48

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
SCHEMBL14380783 0.89 ACE (0.81) ACEABCB11PDE3ALMNA
SCHEMBL13940747 0.89 ACE (0.81) ACEABCB11PDE3ALMNA
SCHEMBL8325515 0.89 ACE (0.67) ACEABCB11PDE3ALMNA
SCHEMBL8328018 0.89 ACE (0.86) ACEABCB11PDE3A
SCHEMBL14545637 0.88 ACE (0.64) ACEABCB11PDE3ALMNA
SCHEMBL8324111 0.82 ACE (0.58) ACEABCB11LMNA
Quinaprilat SCHEMBL11306348 0.81 ACE (1.00) ACEABCB11PDE3A
Quinaprilat SCHEMBL9253792 0.81 ACE (1.00) ACEABCB11PDE3A
Quinaprilat SCHEMBL113237 0.81 ACE (1.00) ACEABCB11PDE3A
Quinaprilat SCHEMBL11286571 0.81 ACE (1.00) ACEABCB11PDE3A

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-2004054980-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LIMITED (IN) 2004-07-01 WO disclosed