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SCHEMBL30686813

SCHEMBL30686813

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.66
▸ HCRTR1 O43613 1/20 0.61
▸ HCRTR2 O43614 1/20 0.61
▸ F2 P00734 4/20 0.60
▸ NPY2R P49146 6/20 0.59
▸ NPY4R P50391 6/20 0.59
▸ NPY5R Q15761 6/20 0.59
▸ NPY1R P25929 4/20 0.59
▸ EP300 Q09472 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ CCKBR P32239 2/20 0.58
▸ GLP1R P43220 2/20 0.58

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
SCHEMBL30686833 1.00 CALCR (0.66) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30686820 0.92 CALCR (0.76) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL29494575 0.92 CALCR (0.76) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30686827 0.92 CALCR (0.76) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL31182689 0.90 CALCR (0.68) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30721582 0.90 CALCR (0.76) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30721659 0.90 CALCR (0.76) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL31696781 0.90 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31744322 0.89 CALCR (0.77) CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL31182620 0.89 GLP1R (0.64) CALCRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402256-A Protein dimers consisting of GLP-1 and EGF (A) analogues 乐普（北京）医疗器械股份有限公司 2024-01-16 — — CN claimed
CN-117186201-A Branched chain modified EGF (A) analogue and application thereof 乐普（北京）医疗器械股份有限公司 2023-12-08 — — CN claimed
CN-117402256-A Protein dimers consisting of GLP-1 and EGF (A) analogues 乐普（北京）医疗器械股份有限公司 2024-01-16 — — CN disclosed
CN-117186201-A Branched chain modified EGF (A) analogue and application thereof 乐普（北京）医疗器械股份有限公司 2023-12-08 — — CN disclosed
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