SCHEMBL8324111

SCHEMBL8324111

CC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.58
HDAC8 Q9BY41 1/20 0.55
ABCB11 O95342 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 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
SCHEMBL14545775 0.89 KMT2A (0.54) ACEHDAC8ABCB11KMT2AMEN1
SCHEMBL13173445 0.88 ACE (0.69) ACEABCB11KMT2AMEN1LMNA
SCHEMBL16624673 0.85 ACE (0.56) ACEABCB11KMT2AMEN1LMNA
SCHEMBL8319633 0.82 ACE (0.68) ACEABCB11LMNA
SCHEMBL8325515 0.81 ACE (0.67) ACEABCB11LMNA
SCHEMBL8328018 0.81 ACE (0.86) ACEABCB11
SCHEMBL4952073 0.77 HDAC8 (0.74) ACEHDAC8KMT2AMEN1KDM4E
SCHEMBL9545302 0.77 KMT2A (0.55) HDAC8KMT2AMEN1MAPTL3MBTL1
SCHEMBL8320933 0.76 MME (0.51) ACEKMT2AMEN1ALDH1A1
SCHEMBL20227445 0.76 ACE (0.67) ACELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572661-B1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LTD (IN) 2007-04-25 EP disclosed
WO-2004054980-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LIMITED (IN) 2004-07-01 WO disclosed