SCHEMBL30262228

SCHEMBL30262228

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 13/20 0.56
▸ PTH1R Q03431 4/20 0.54
▸ TFPI P10646 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ SCTR P47872 1/20 0.52
▸ VIPR1 P32241 1/20 0.52

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
SCHEMBL29794317 0.96 GLP1R (0.59) GLP1RPTH1RSCTR
SCHEMBL30544875 0.96 GLP1R (0.59) GLP1RPTH1RSCTR
SCHEMBL29797102 0.95 GLP1R (0.58) GLP1RPTH1RRXFP1SCTR
SCHEMBL29962070 0.95 GLP1R (0.52) GLP1RPTH1RRXFP1SCTR
SCHEMBL30477260 0.93 GLP1R (0.59) GLP1RSCTRVIPR1
SCHEMBL29796964 0.92 GLP1R (0.55) GLP1RPTH1R
SCHEMBL30449532 0.92 PTH1R (0.65) GLP1RPTH1RRXFP1
Semparatide SCHEMBL29487295 0.91 GLP1R (0.60) GLP1RPTH1RSCTR
SCHEMBL31307289 0.90 GLP1R (0.60) GLP1RPTH1RSCTRVIPR1
SCHEMBL31182941 0.90 GLP1R (0.65) GLP1RPTH1RSCTRVIPR1

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-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
Send feedback