Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658256

SCHEMBL30658256

SCHEMBL30658256

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 8/20 0.69
▸ PTH1R Q03431 8/20 0.65
▸ GLP1R P43220 3/20 0.64
▸ CCKBR P32239 1/20 0.64
▸ GRPR P30550 1/20 0.62
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ ECE1 P42892 1/20 0.60
▸ MUS81 Q96NY9 1/20 0.60

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
SCHEMBL31182558 0.93 RXFP1 (0.72) RXFP1PTH1RGLP1RCCKBRGCGR
SCHEMBL30658281 0.92 PTH1R (0.64) RXFP1PTH1RGLP1RCCKBRGCGR
SCHEMBL30658325 0.92 RXFP1 (0.69) RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30658299 0.91 KEAP1 (0.69) PTH1RGLP1RCCKBRGCGRECE1
SCHEMBL30862316 0.90 RXFP1 (0.80) RXFP1PTH1RGLP1RCCKBRGCGR
SCHEMBL30658258 0.90 PTH1R (0.69) RXFP1PTH1RGLP1RCCKBRGCGR
SCHEMBL17940396 0.89 RXFP1 (0.72) RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL31169784 0.89 IL23R (0.69) GLP1RCCKBRGCGRGIPR
SCHEMBL30906408 0.89 RXFP1 (0.69) RXFP1PTH1RGLP1RCCKBRGRPR
SCHEMBL31020886 0.88 RXFP1 (0.66) RXFP1PTH1RGLP1RCCKBRGCGR

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