SCHEMBL27953013

SCHEMBL27953013

N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ NLN Q9BYT8 3/20 0.44

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
SCHEMBL31066556 0.83 CYP3A4 (0.63) CYP3A4SLC7A5NLN
SCHEMBL27432299 0.83 CYP3A4 (0.66) CYP3A4SLC7A5NLN
SCHEMBL1230293 0.82 CYP3A4 (0.65) CYP3A4SLC7A5NLN
SCHEMBL18862044 0.80 CYP3A4 (0.57) CYP3A4SLC7A5NLN
SCHEMBL1371052 0.79 OPRD1 (0.34) —
SCHEMBL30037432 0.79 OPRD1 (0.34) —
SCHEMBL29429285 0.79 CYP3A4 (0.59) CYP3A4SLC7A5NLN
SCHEMBL13900497 0.78 SLC15A2 (0.58) CYP3A4SLC7A5
SCHEMBL13467352 0.78 CYP3A4 (0.49) CYP3A4SLC7A5
SCHEMBL29380221 0.77 CYP3A4 (0.65) CYP3A4SLC7A5

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-103665170-A Peptide therapeutic conjugates and uses thereof ANGIOCHEM INC 2014-03-26 — — CN disclosed
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