SCHEMBL7326171

SCHEMBL7326171

CC[C@H](C)[C@H](NC(=O)CC(=O)[C@@H](N)CC1CCCCC1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.40
LTA4H P09960 1/20 0.38
ENPEP Q07075 2/20 0.36
CTSK P43235 1/20 0.36
REN P00797 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
METAP2 P50579 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRM1 Q13255 1/20 0.34
CTSD P07339 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL9220946 0.90 L3MBTL1 (0.46) CPB2LTA4HENPEPL3MBTL1ALDH1A1
SCHEMBL7325963 0.79 CTSS (0.50) CPB2CTSKRENCTSD
SCHEMBL10774125 0.75 CTSS (0.44) CPB2CTSKRENCTSD
SCHEMBL17792791 0.71 METAP2 (0.42) ENPEPCTSKRENMETAP2ALDH1A1
SCHEMBL5520876 0.70 ENPEP (0.46) ENPEPL3MBTL1ALDH1A1KMT2A
SCHEMBL5520878 0.70 ENPEP (0.46) ENPEPL3MBTL1ALDH1A1KMT2A
SCHEMBL15892241 0.69 METAP2 (0.45) CPB2LTA4HRENMETAP2CHRNB2
SCHEMBL2715742 0.69 ALOX5 (0.48) METAP2EPHX1
SCHEMBL842505 0.69 ALOX5 (0.48) METAP2EPHX1
SCHEMBL4319266 0.69 ALOX5 (0.48) METAP2EPHX1

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-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed