SCHEMBL20366284

SCHEMBL20366284

CC(C)C[C@H](N)C(=O)N[C@H](C)CCN

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
SCN9A Q15858 3/20 0.45
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 5/20 0.41
DPP7 Q9UHL4 4/20 0.41
LARS1 Q9P2J5 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
DPP4 P27487 3/20 0.37
RRM1 P23921 1/20 0.37
GABRR1 P24046 2/20 0.36

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
SCHEMBL17152494 0.84 SLC7A5 (0.52) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL8268603 0.81 SLC7A5 (0.48) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL17152607 0.81 SLC7A5 (0.48) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL31129134 0.81 SLC7A5 (0.50) SLC7A5ERAP2ERAP1LNPEPGABRR1
SCHEMBL10296149 0.78 SLC7A5 (0.54) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL18774984 0.78 SLC7A5 (0.54) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL30440188 0.77 ALDH1A1 (0.49) SLC7A5ERAP2ERAP1LNPEP
SCHEMBL19576166 0.77 ANPEP (0.43) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL14623392 0.77 DPP4 (0.44) SLC7A5SCN9AANPEPRNPEPDNPEP
SCHEMBL14624739 0.77 DPP4 (0.44) SLC7A5SCN9AANPEPRNPEPDNPEP

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
WO-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed