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Sugi Predict / Compounds / SCHEMBL29407403

SCHEMBL29407403

SCHEMBL29407403

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](N)CO)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)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.59
▸ CALCR P30988 4/20 0.58
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.53
▸ BACE1 P56817 1/20 0.52
▸ GLP1R P43220 1/20 0.51

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 0.99 PTH1R (0.59) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL31303964 0.99 PTH1R (0.59) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL30449532 0.95 PTH1R (0.65) PTH1RCALCRRXFP1GLP1R
SCHEMBL30136427 0.94 PTH1R (0.55) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL30136444 0.92 CALCR (0.54) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL30763286 0.91 PTH1R (0.52) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL30432055 0.91 CALCR (0.59) PTH1RCALCRCRHR1CRHR2GLP1R
SCHEMBL29949418 0.90 CALCR (0.64) PTH1RCALCRCRHR1CRHR2RXFP1
SCHEMBL29796964 0.89 GLP1R (0.55) PTH1RCALCRCRHR1CRHR2GLP1R
SCHEMBL31182682 0.89 PTH1R (0.60) PTH1RCALCRCRHR1CRHR2RXFP1

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-114137114-A Teriparatide isotope internal standard, preparation method and application thereof 信立泰(苏州)药业有限公司 2022-03-04 — — CN disclosed
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