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SCHEMBL29649197

SCHEMBL29649197

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.60
▸ F2 P00734 4/20 0.59
▸ GLP1R P43220 8/20 0.59
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59

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
SCHEMBL30262038 0.94 F2 (0.62) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL30957808 0.93 GLP1R (0.57) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL29949418 0.91 CALCR (0.64) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL29827711 0.91 CRHR1 (0.55) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL30974374 0.91 CRHR1 (0.55) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL30436221 0.90 CALCR (0.67) CALCRGLP1RCRHR1CRHR2
SCHEMBL29625325 0.90 CALCR (0.55) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL29967394 0.90 GLP1R (0.65) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL31182723 0.90 GLP1R (0.67) GLP1R
SCHEMBL30432587 0.89 GLP1R (0.66) GLP1R

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-112391371-B Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-20 — — CN disclosed
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