SCHEMBL31211751

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	IL23R	Q5VWK5	1/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	VIPR2	P41587	5/20	0.56

▸	VIPR1	P32241	3/20	0.56

▸	NPY5R	Q15761	5/20	0.55

▸	NPY1R	P25929	4/20	0.55

▸	NPY4R	P50391	4/20	0.55

▸	NPBWR1	P48145	1/20	0.55

▸	NPY2R	P49146	2/20	0.55

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
SCHEMBL30842195	0.93	TFPI (0.65)	TFPIIL23RKEAP1GLP1RGCGR
SCHEMBL30844091	0.92	NPY4R (0.63)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL30607377	0.91	IL23R (0.66)	IL23RGLP1RGCGRGIPRNPBWR1
SCHEMBL30432571	0.89	TFPI (0.67)	TFPIGLP1RGCGRGIPRVIPR2
SCHEMBL31678873	0.89	TFPI (0.56)	TFPIKEAP1GLP1RGCGRGIPR
SCHEMBL29388572	0.89	TFPI (0.63)	TFPIIL23RKEAP1NPY5RNPY1R
SCHEMBL30904845	0.89	NPY4R (0.58)	TFPIIL23RGLP1RGCGRGIPR
SCHEMBL31672188	0.88	BACE1 (0.65)	TFPIGLP1RGCGRGIPRVIPR2
SCHEMBL29405667	0.88	TFPI (0.66)	TFPIKEAP1NPY5RNPY1RNPY4R
SCHEMBL29461387	0.88	TFPI (0.63)	TFPIIL23RKEAP1GLP1RGCGR

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
WO-2024228957-A1	ANTIBODY RECRUITING MOLECULES FOR THE TREATMENT OF CORONAVIRUS DISEASE-19	BIOHAVEN THERAPEUTICS LTD. (VG)	2024-11-07	—	—	WO	disclosed