SCHEMBL30466505

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	14/20	0.62

▸	GLP1R	P43220	4/20	0.60

▸	GCGR	P47871	1/20	0.59

▸	GIPR	P48546	1/20	0.59

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	C5AR1	P21730	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
SCHEMBL31402804	0.93	GLP1R (0.71)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL31547376	0.93	GLP1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31688328	0.89	TFPI (0.59)	IL23R
SCHEMBL29479845	0.88	GLP1R (0.69)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29695434	0.87	IL23R (0.67)	IL23RGLP1RGCGRGIPR
SCHEMBL31683332	0.86	NR3C1 (0.69)	IL23RGLP1RGCGRGIPR
SCHEMBL30978827	0.86	GHSR (0.55)	IL23RGLP1RGCGRGIPR
SCHEMBL30432072	0.86	GLP1R (0.66)	IL23RGLP1R
SCHEMBL30262135	0.85	KDM1A (0.63)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL29695609	0.85	NR3C1 (0.69)	IL23RGLP1RGCGRGIPR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4447991-A1	PEPTIDES AND METHODS FOR USE IN TREATING PAIN	Tafalgie Therapeutics (FR)	2024-10-23	—	—	EP	disclosed
WO-2023111348-A1	PEPTIDES AND METHODS FOR USE IN TREATING PAIN	CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR)	2023-06-22	—	—	WO	disclosed