SCHEMBL7276448

SCHEMBL7276448

CCCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.49
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP7 Q9UHL4 3/20 0.42
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
SLC15A1 P46059 1/20 0.39

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
SCHEMBL9252929 1.00 REN (0.49) RENMETAP2ALDH1A1KMT2ADPP7
SCHEMBL7290166 0.98 REN (0.47) RENMETAP2ALDH1A1KMT2ADPP7
SCHEMBL7283961 0.98 REN (0.47) RENMETAP2ALDH1A1KMT2ADPP7
SCHEMBL7289862 0.87 REN (0.46) RENMETAP2ALDH1A1KMT2ADPP7
SCHEMBL7280570 0.87 REN (0.46) RENMETAP2ALDH1A1KMT2ADPP7
SCHEMBL7283265 0.86 REN (0.49) REN
SCHEMBL8909805 0.84 REN (0.56) RENMETAP2
SCHEMBL7276949 0.84 REN (0.56) RENMETAP2
SCHEMBL9256057 0.84 REN (0.56) RENMETAP2
SCHEMBL7429514 0.76 REN (0.43) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 EP disclosed