SCHEMBL29405906

SCHEMBL29405906

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.55
▸ BACE1 P56817 9/20 0.54
▸ ENPEP Q07075 5/20 0.51
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ FOLH1 Q04609 2/20 0.45
▸ CTSD P07339 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL29378835 0.96 ENPEP (0.54) TASP1BACE1ENPEPFOLH1BACE2
SCHEMBL29624626 0.94 BACE1 (0.59) TASP1BACE1ENPEPFOLH1CTSD
SCHEMBL38660823 0.91 TASP1 (0.61) TASP1BACE1ENPEPGRIN2DGRIN3B
SCHEMBL31720926 0.90 ENPEP (0.55) TASP1BACE1ENPEPFOLH1CTSD
SCHEMBL29771981 0.89 TASP1 (0.51) TASP1BACE1ENPEPGRIN2DGRIN3B
SCHEMBL10621016 0.89 TASP1 (0.59) TASP1BACE1ENPEPGRIN2DGRIN3B
SCHEMBL31514359 0.88 BACE1 (0.55) BACE1FOLH1CTSDBACE2
SCHEMBL31563685 0.87 GRIN2D (0.59) TASP1BACE1ENPEPGRIN2DGRIN3B
SCHEMBL31514347 0.87 GRIN2D (0.59) TASP1BACE1ENPEPGRIN2DGRIN3B
SCHEMBL30448853 0.87 BACE1 (0.55) TASP1BACE1ENPEPGRIN2DGRIN3B

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
CN-114137114-A Teriparatide isotope internal standard, preparation method and application thereof 信立泰(苏州)药业有限公司 2022-03-04 — — CN disclosed
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