SCHEMBL8320933

SCHEMBL8320933

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
ACE P12821 7/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MMP2 P08253 2/20 0.48
MMP3 P08254 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 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
SCHEMBL7319806 0.90 MME (0.61) MMEACETSHR
SCHEMBL5311806 0.90 MME (0.61) MMEACETSHR
SCHEMBL5641909 0.90 MME (0.61) MMEACETSHR
SCHEMBL3369279 0.90 MME (0.61) MMEACETSHR
SCHEMBL8254252 0.90 MME (0.61) MMEACETSHR
SCHEMBL4668246 0.90 MME (0.61) MMEACETSHR
SCHEMBL9737351 0.89 MME (0.50) MMEACETSHRMEN1KMT2A
SCHEMBL9737367 0.89 MME (0.50) MMEACETSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10961819 0.89 MME (0.60) MMEACETSHR
SCHEMBL13964951 0.88 MME (0.49) MMEACETSHRMEN1KMT2A

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