Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658394

SCHEMBL30658394

SCHEMBL30658394

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)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(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.66
▸ CRHR1 P34998 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ GLP1R P43220 4/20 0.61
▸ NPY2R P49146 7/20 0.60
▸ NPY4R P50391 7/20 0.60
▸ NPY5R Q15761 7/20 0.60
▸ NPY1R P25929 5/20 0.60
▸ GCGR P47871 3/20 0.59
▸ RAMP1 O60894 1/20 0.58
▸ RAMP2 O60895 1/20 0.58
▸ RAMP3 O60896 1/20 0.58
▸ CALCRL Q16602 1/20 0.58
▸ EP300 Q09472 1/20 0.57
▸ HIF1A Q16665 1/20 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
SCHEMBL30658369 0.89 CALCR (0.66) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30176470 0.89 CALCR (0.73) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30495828 0.88 CALCR (0.74) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30658206 0.88 CALCR (0.68) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30565137 0.88 CALCR (0.76) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30658283 0.87 CALCR (0.74) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL29462637 0.87 CALCR (0.79) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL31182555 0.87 CALCR (0.66) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL29598731 0.87 C5AR1 (0.63) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30658223 0.87 CALCR (0.65) CALCRCRHR1CRHR2GLP1RGCGR

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-11753627-B2 Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 — — US disclosed
Send feedback