Sugi Predict

Sugi Predict / Compounds / SCHEMBL30429454

SCHEMBL30429454

SCHEMBL30429454

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.62
▸ APLNR P35414 3/20 0.58
▸ RAMP1 O60894 1/20 0.57
▸ RAMP2 O60895 1/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCRL Q16602 1/20 0.57
▸ GLP1R P43220 6/20 0.54
▸ GCGR P47871 6/20 0.54
▸ GIPR P48546 6/20 0.54
▸ MC4R P32245 1/20 0.54
▸ CXCR4 P61073 1/20 0.54

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
SCHEMBL31255131 0.91 MC4R (0.64) CALCRAPLNRRAMP1RAMP2RAMP3
SCHEMBL30859188 0.89 CALCR (0.63) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL30299016 0.88 CALCR (0.69) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29522561 0.88 CALCR (0.69) CALCRGLP1RGCGR
SCHEMBL30252487 0.88 CALCR (0.60) CALCRAPLNRRAMP1RAMP2RAMP3
SCHEMBL30431858 0.87 APLNR (0.61) CALCRAPLNRRAMP1RAMP2RAMP3
SCHEMBL30960478 0.87 CALCR (0.66) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL30429121 0.87 MAPK8 (0.65) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL30428850 0.87 CALCR (0.67) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL2905167 0.86 CALCR (0.76) CALCRRAMP1RAMP2RAMP3CALCRL

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-20230165951-A1 Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19 MAMEDOV TARLAN (TR) 2023-06-01 — — US disclosed
Send feedback