SCHEMBL30435754

SCHEMBL30435754

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.46
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ FURIN P09958 7/20 0.40
▸ NPBWR1 P48145 5/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ OPRL1 P41146 1/20 0.38
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL23230082 0.87 NOD1 (0.50) NOD1NMT2NMT1FURIN
SCHEMBL31181276 0.87 NOD1 (0.50) NOD1NMT2NMT1FURIN
SCHEMBL30340325 0.87 NOD1 (0.50) NOD1NMT2NMT1FURIN
SCHEMBL23230081 0.85 NOD1 (0.49) NOD1NMT2NMT1TLR2FURIN
SCHEMBL22674899 0.83 FURIN (0.42) NOD1NMT2NMT1TLR2FURIN
SCHEMBL31676643 0.83 FOLH1 (0.51) NOD1NMT2NMT1OPRL1
SCHEMBL31676644 0.83 FOLH1 (0.51) NOD1NMT2NMT1OPRL1
SCHEMBL31676623 0.83 FOLH1 (0.51) NOD1NMT2NMT1OPRL1
SCHEMBL20653679 0.81 NOD1 (0.55) NOD1NMT2NMT1TLR2SIRT6
SCHEMBL31686179 0.81 NOD1 (0.55) NOD1NMT2NMT1TLR2SIRT6

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-111269321-B GLP-1 analogue fusion protein 鲁南制药集团股份有限公司 2023-05-12 — — CN disclosed
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