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SCHEMBL29097470

SCHEMBL29097470

CCC(C)C(NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(C)=O)C(C)O)C(C)O)C(C)C)C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.61
▸ IL23R Q5VWK5 2/20 0.61
▸ GLP1R P43220 7/20 0.60
▸ PTH1R Q03431 2/20 0.59
▸ CCKBR P32239 1/20 0.58
▸ GHSR Q92847 5/20 0.58
▸ NPY2R P49146 2/20 0.58
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57

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
SCHEMBL30945118 0.91 GLP1R (0.61) GLP1R
SCHEMBL30272568 0.90 PTH1R (0.66) NR3C1GLP1RPTH1RCCKBRGHSR
SCHEMBL29993864 0.90 GLP1R (0.68) NR3C1IL23RGLP1RPTH1RCCKBR
Enfuvirtide SCHEMBL27775255 0.89 GLP1R (0.69) NR3C1GLP1RPTH1RCCKBRGHSR
Enfuvirtide SCHEMBL34310 0.89 GLP1R (0.69) NR3C1GLP1RPTH1RCCKBRGHSR
SCHEMBL30526311 0.89 PTH1R (0.68) NR3C1GLP1RPTH1RCCKBRGHSR
SCHEMBL29394322 0.89 PTH1R (0.68) NR3C1GLP1RPTH1RCCKBRGHSR
SCHEMBL29804984 0.87 KISS1R (0.60) NR3C1IL23RGLP1R
SCHEMBL30744272 0.87 PTH1R (0.65) NR3C1GLP1RPTH1RCCKBRGHSR
SCHEMBL29983249 0.86 NR3C1 (0.69) NR3C1IL23RGLP1RCCKBRECE1

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-117024552-A Small molecular antibacterial polypeptide, preparation method and application thereof 深圳碳云智肽药物科技有限公司 2023-11-10 — — CN disclosed
CN-116947999-A Small molecular antibacterial polypeptide, preparation method and application thereof 深圳碳云智肽药物科技有限公司 2023-10-27 — — CN disclosed
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