Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658294

SCHEMBL30658294

SCHEMBL30658294

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N(C)C(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 7/20 0.59
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ GLP1R P43220 5/20 0.50
▸ RAMP3 O60896 3/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ OPRK1 P41145 2/20 0.49

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
SCHEMBL30658223 0.88 CALCR (0.65) CALCRCRHR1CRHR2GLP1R
SCHEMBL30432350 0.84 CALCR (0.60) CALCRCRHR1CRHR2
SCHEMBL30576974 0.84 CALCR (0.59) CALCRCRHR1CRHR2
SCHEMBL29867646 0.84 CALCR (0.62) CALCRCRHR1CRHR2GLP1ROPRD1
SCHEMBL31402802 0.83 NPY2R (0.63) CALCR
SCHEMBL31461984 0.83 CALCR (0.53) CALCRRAMP3OPRD1
SCHEMBL30692668 0.83 CALCR (0.62) CALCRCRHR1CRHR2
SCHEMBL30975049 0.83 CALCR (0.65) CALCRGLP1R
SCHEMBL30658344 0.82 CALCR (0.68) CALCRCRHR1CRHR2GLP1R
SCHEMBL30262139 0.82 CALCR (0.59) CALCRGLP1ROPRD1

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