SCHEMBL29613381

C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	18/20	0.61

▸	GCGR	P47871	1/20	0.59

▸	IL23R	Q5VWK5	1/20	0.57

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.

Compound	similarity	top predicted	shared targets
SCHEMBL29883587	0.95	IL23R (0.61)	GLP1RGCGRIL23R
SCHEMBL29540806	0.94	IL23R (0.60)	GLP1RGCGRIL23R
SCHEMBL29641174	0.93	IL23R (0.62)	GLP1RGCGRIL23R
SCHEMBL30648469	0.91	GLP1R (0.68)	GLP1R
SCHEMBL29625331	0.90	GLP1R (0.65)	GLP1RGCGR
SCHEMBL29672885	0.88	IL23R (0.57)	IL23R
SCHEMBL30463394	0.88	IL23R (0.57)	IL23R
SCHEMBL29754646	0.88	IL23R (0.53)	GLP1RGCGRIL23R
SCHEMBL29965711	0.88	CXCR4 (0.56)	GLP1RGCGRIL23R
SCHEMBL30132314	0.88	TUBB4A (0.57)	GLP1RIL23R

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-112979509-B	Trifluoromethanesulfonyl alkynamide compound and preparation method and application thereof	江西师范大学	2022-04-22	—	—	CN	disclosed