SCHEMBL31276210

SCHEMBL31276210

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.46
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
ENPEP Q07075 4/20 0.43
NTSR2 O95665 1/20 0.41
NTSR1 P30989 1/20 0.41
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL31275624 0.98 CPB2 (0.44) CPB2ENPEPNTSR2NTSR1F2
SCHEMBL27164798 0.93 CPB2 (0.49) CPB2ENPEPNTSR2NTSR1
SCHEMBL30335748 0.93 CPB2 (0.49) CPB2ENPEPNTSR2NTSR1
SCHEMBL31538181 0.93 CPB2 (0.49) CPB2ENPEPNTSR2NTSR1
SCHEMBL27204398 0.93 CPB2 (0.49) CPB2ENPEPNTSR2NTSR1
SCHEMBL31174186 0.93 CPB2 (0.47) CPB2ENPEPNTSR2NTSR1ALDH1A1
SCHEMBL31174191 0.93 CPB2 (0.47) CPB2ENPEPNTSR2NTSR1ALDH1A1
SCHEMBL31720962 0.90 NMT2 (0.47) CPB2NMT2NMT1ENPEPNTSR2
SCHEMBL29429672 0.89 ERAP2 (0.45) CPB2NMT2NMT1ENPEPNTSR2
SCHEMBL31643291 0.89 NMT1 (0.46) CPB2NMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312278-B1 PROTEIN EXPRESSION METHOD UNIV NAGOYA NAT UNIV CORP (JP) 2024-12-04 EP disclosed