SCHEMBL7269254

SCHEMBL7269254

CON(C)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
LAP3 P28838 1/20 0.50
FAAH O00519 1/20 0.50
SLC15A1 P46059 1/20 0.49
LTA4H P09960 1/20 0.46
HPGD P15428 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
SRR Q9GZT4 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
SCHEMBL7438290 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6161681 0.98 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1126065 0.98 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL9725806 0.93 ALPI (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7801253 0.88 LTA4H (0.58) PTGS1LAP3LTA4H
SCHEMBL9248667 0.85 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7032300 0.84 LNPEP (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5885156 0.83 LTA4H (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7842354 0.83 FAAH (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30959049 0.83 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP

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-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed