SCHEMBL30537027

SCHEMBL30537027

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.47
▸ GLP1R P43220 12/20 0.46
▸ SCTR P47872 1/20 0.46
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ GCGR P47871 1/20 0.43
▸ IL23R Q5VWK5 1/20 0.43
▸ F2 P00734 1/20 0.43

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
SCHEMBL30168779 0.90 CALCR (0.51) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL30168710 0.90 CALCR (0.51) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL29836368 0.89 CALCR (0.50) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL29836375 0.89 CALCR (0.50) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL30209777 0.89 GLP1R (0.50) CALCRGLP1RSCTRF2
SCHEMBL30168740 0.88 CALCR (0.54) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL30168714 0.88 CALCR (0.54) CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL31190269 0.88 CALCR (0.57) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30637769 0.88 CALCR (0.55) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30209778 0.88 BACE1 (0.56) CALCRGLP1RSCTRF2

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-112759632-B Preparation method of Sylvestin 昆明龙津药业股份有限公司 2023-08-18 — — CN disclosed
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