Sugi Predict

Sugi Predict / Compounds / SCHEMBL31182540

SCHEMBL31182540

SCHEMBL31182540

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.68
▸ CRHR1 P34998 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ GLP1R P43220 2/20 0.57
▸ F2 P00734 2/20 0.57

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
SCHEMBL11660011 0.90 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662997 0.90 CALCR (0.71) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30432958 0.89 CALCR (0.65) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658245 0.89 CALCR (0.71) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660133 0.89 CALCR (0.73) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182579 0.89 CALCR (0.59) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL6238339 0.89 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29356926 0.89 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31332022 0.89 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29867615 0.89 CALCR (0.62) CALCRCRHR1CRHR2NPY2RNPY4R

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
US-20240350475-A1 TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-10-24 — — US disclosed
Send feedback