SCHEMBL3422282

SCHEMBL3422282

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 12/20 0.46
ALDH1A1 P00352 1/20 0.44
NOD1 Q9Y239 1/20 0.43
TASP1 Q9H6P5 1/20 0.42
MAGI3 Q5TCQ9 1/20 0.42
BACE1 P56817 1/20 0.41
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CASP10 Q92851 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
SCHEMBL3422273 1.00 ENPEP (0.46) ENPEPALDH1A1NOD1TASP1MAGI3
SCHEMBL3434683 0.90 ENPEP (0.55) ENPEPALDH1A1
SCHEMBL30798820 0.90 ENPEP (0.44) ENPEPALDH1A1TASP1MAGI3BACE1
SCHEMBL29851322 0.88 ENPEP (0.62) ENPEPTASP1BACE1
SCHEMBL30185769 0.86 NOD1 (0.45) NOD1MAGI3BACE1
SCHEMBL30480960 0.86 ENPEP (0.51) ENPEPALDH1A1BACE1
SCHEMBL29974699 0.85 MAGI3 (0.53) ENPEPALDH1A1TASP1MAGI3CASP1
SCHEMBL2503883 0.84 NOD1 (0.57) NOD1
SCHEMBL2503880 0.84 NOD1 (0.57) NOD1
SCHEMBL934499 0.84 ALDH1A1 (0.59) ENPEPALDH1A1

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-2010020825-A2 UROCORTIN 3 FRAGMENTS AND ANALOGS, THEIR PREPARATION AND USE AS ANTIDEPRESSIVE AND ANXIOLYTIC AGENTS Szegedi Tudományegyetem (HU) 2010-02-25 WO disclosed