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Sugi Predict / Compounds / SCHEMBL31396476

SCHEMBL31396476

SCHEMBL31396476

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.74
▸ GLP1R P43220 6/20 0.72
▸ ECE1 P42892 1/20 0.72
▸ MUS81 Q96NY9 1/20 0.72
▸ CCKBR P32239 1/20 0.71
▸ NR3C1 P04150 4/20 0.68
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66

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
SCHEMBL30411571 0.97 PTH1R (0.77) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL30148541 0.93 NR3C1 (0.74) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL30744286 0.93 NR3C1 (0.71) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL29412274 0.92 GLP1R (0.73) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL29370374 0.91 GLP1R (0.71) PTH1RGLP1RECE1MUS81CCKBR
Glp-1 SCHEMBL29353361 0.90 GLP1R (0.89) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL31060658 0.90 GLP1R (0.89) PTH1RGLP1RECE1MUS81CCKBR
Teduglutide SCHEMBL20898050 0.90 GLP1R (0.82) PTH1RGLP1RECE1MUS81CCKBR
Teduglutide SCHEMBL29373256 0.90 GLP1R (0.82) PTH1RGLP1RECE1MUS81CCKBR
SCHEMBL30744278 0.90 GRPR (0.69) PTH1RGLP1RECE1MUS81CCKBR

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-119591676-A Lipopeptide HIV membrane fusion inhibitor and pharmaceutical application 中国医学科学院病原生物学研究所 2025-03-11 — — CN disclosed
CN-119552241-A HIV-1 nano antibody, preparation method and application thereof 上海市重大传染病和生物安全研究院 2025-03-04 — — CN disclosed
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