SCHEMBL30262187

SCHEMBL30262187

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 18/20 0.64
▸ VIPR2 P41587 2/20 0.60
▸ VIPR1 P32241 1/20 0.60
▸ SCTR P47872 1/20 0.59

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
SCHEMBL31182730 0.92 GLP1R (0.72) GLP1RSCTR
SCHEMBL30168773 0.91 GLP1R (0.58) GLP1RVIPR2VIPR1SCTR
SCHEMBL30168769 0.91 GLP1R (0.61) GLP1RSCTR
SCHEMBL30168712 0.91 GLP1R (0.59) GLP1RVIPR2VIPR1
SCHEMBL31182481 0.91 GLP1R (0.68) GLP1RVIPR2VIPR1SCTR
SCHEMBL31603933 0.91 GLP1R (0.69) GLP1RVIPR2VIPR1SCTR
SCHEMBL29649225 0.91 GLP1R (0.65) GLP1RVIPR2VIPR1SCTR
SCHEMBL29836347 0.90 GLP1R (0.57) GLP1RVIPR2VIPR1
SCHEMBL30553611 0.90 GLP1R (0.65) GLP1R
SCHEMBL29794260 0.90 GLP1R (0.65) GLP1R

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