SCHEMBL7324166

SCHEMBL7324166

CC(C)C[C@H](NCC[C@H](O)[C@@H](N)CC(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
MMP8 P22894 5/20 0.47
ALDH1A1 P00352 1/20 0.47
LAP3 P28838 2/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP1 P03956 2/20 0.45
FCER2 P06734 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
PSMB1 P20618 1/20 0.45

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
SCHEMBL27560994 0.78 MMP8 (0.56) ANPEPMMP8ALDH1A1L3MBTL1MMP1
SCHEMBL10707972 0.76 MMP8 (0.46) ANPEPMMP8ALDH1A1LAP3RNPEP
SCHEMBL10448519 0.74 ANPEP (0.50) ANPEPMMP8ALDH1A1L3MBTL1MMP1
SCHEMBL1792751 0.74 KMT2A (0.59) ANPEPMMP8ALDH1A1RNPEPDNPEP
SCHEMBL4743866 0.74 KMT2A (0.59) ANPEPMMP8ALDH1A1RNPEPDNPEP
SCHEMBL22522245 0.74 KMT2A (0.59) ANPEPMMP8ALDH1A1RNPEPDNPEP
Hydrochloric Acid SCHEMBL10520633 0.73 KMT2A (0.58) ANPEPMMP8ALDH1A1RNPEPDNPEP
SCHEMBL21233884 0.73 ANPEP (0.56) ANPEPMMP8ALDH1A1L3MBTL1MMP1
Trifluoroacetic Acid SCHEMBL10572656 0.72 ANPEP (0.55) ANPEPMMP8ALDH1A1LAP3RNPEP
SCHEMBL10906077 0.72 CTSK (0.57) ANPEPMMP8ALDH1A1

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-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed