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SCHEMBL30136444

SCHEMBL30136444

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)OCC[Si](C)(C)C)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.54
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ PTH1R Q03431 10/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ GLP1R P43220 1/20 0.49
▸ F2 P00734 2/20 0.49

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
SCHEMBL30136490 0.93 PTH1R (0.59) CALCRCRHR1CRHR2PTH1RRXFP1
SCHEMBL29407403 0.92 PTH1R (0.59) CALCRCRHR1CRHR2PTH1RRXFP1
SCHEMBL31303964 0.92 PTH1R (0.59) CALCRCRHR1CRHR2PTH1RRXFP1
SCHEMBL30136474 0.90 CALCR (0.55) CALCRCRHR1CRHR2PTH1RRXFP1
SCHEMBL30449532 0.88 PTH1R (0.65) CALCRPTH1RRXFP1GLP1R
SCHEMBL29949418 0.87 CALCR (0.64) CALCRCRHR1CRHR2PTH1RRXFP1
SCHEMBL30432055 0.87 CALCR (0.59) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL29625325 0.87 CALCR (0.55) CALCRCRHR1CRHR2GLP1RF2
SCHEMBL29796964 0.86 GLP1R (0.55) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30136427 0.86 PTH1R (0.55) CALCRCRHR1CRHR2PTH1RRXFP1

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-110642936-B Method for preparing teriparatide 深圳翰宇药业股份有限公司 2023-01-17 — — CN disclosed
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