SCHEMBL30880423

SCHEMBL30880423

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ NOD1 Q9Y239 2/20 0.44
▸ TERT O14746 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ GSR P00390 1/20 0.43
▸ NRP1 O14786 2/20 0.42
▸ CPB2 Q96IY4 5/20 0.41
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 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
SCHEMBL847122 0.99 GNAI3 (0.44) GNAI3GNAO1GNAI1NOD1TERT
SCHEMBL847121 0.99 GNAI3 (0.44) GNAI3GNAO1GNAI1NOD1TERT
SCHEMBL3896673 0.92 GNAI3 (0.42) GNAI3GNAO1GNAI1TERTGSR
SCHEMBL5697801 0.92 GNAI3 (0.42) GNAI3GNAO1GNAI1TERTGSR
SCHEMBL16615963 0.90 GNAI3 (0.47) GNAI3GNAO1GNAI1TERTGSR
SCHEMBL2887196 0.90 TERT (0.52) GNAI3GNAO1GNAI1NOD1TERT
SCHEMBL2887200 0.90 TERT (0.52) GNAI3GNAO1GNAI1NOD1TERT
SCHEMBL30767178 0.89 PTGS1 (0.43) GNAI3GNAO1GNAI1NOD1TERT
SCHEMBL31676590 0.89 FOLH1 (0.51) NOD1TERTFOLH1SLC6A5
SCHEMBL8540142 0.88 GNAI3 (0.50) GNAI3GNAO1GNAI1TERTGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN claimed
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 — — CN disclosed
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