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SCHEMBL30422676

SCHEMBL30422676

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.60
▸ RAMP1 O60894 1/20 0.60
▸ RAMP2 O60895 1/20 0.60
▸ RAMP3 O60896 1/20 0.60
▸ CALCRL Q16602 1/20 0.60
▸ F2 P00734 4/20 0.58
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ APLNR P35414 1/20 0.56
▸ C5AR1 P21730 1/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ GLP1R P43220 4/20 0.55
▸ GCGR P47871 4/20 0.55
▸ GIPR P48546 4/20 0.55
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL30362627 0.89 CALCR (0.70) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29828490 0.88 C5AR1 (0.56) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL31182755 0.88 CALCR (0.60) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30576904 0.87 CALCR (0.64) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29649214 0.86 NPY2R (0.62) CALCRRAMP3KEAP1
SCHEMBL30437180 0.86 CALCR (0.68) CALCRRAMP3F2APLNRMAPK8
SCHEMBL30692723 0.86 APLNR (0.58) F2APLNRC5AR1MAPK8MAPK9
SCHEMBL31281843 0.86 C5AR1 (0.53) CALCRRAMP3APLNRC5AR1MAPK8
SCHEMBL30358141 0.86 APLNR (0.63) CALCRF2APLNRC5AR1MAPK8
SCHEMBL31182896 0.86 CALCR (0.66) CALCRGLP1RGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110199029-B Method for preparing rebaudioside C by enzyme method 百事可乐公司 2023-09-05 — — CN disclosed
CN-110177881-B Method for preparing rebaudioside J by enzyme method 百事可乐公司 2023-06-02 — — CN disclosed
CN-109890973-B Method for preparing rebaudioside N by enzyme method 百事可乐公司 2023-05-23 — — CN disclosed
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