SCHEMBL29430215

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.69

▸	NPY2R	P49146	6/20	0.69

▸	NPY4R	P50391	6/20	0.69

▸	NPY5R	Q15761	6/20	0.69

▸	NPY1R	P25929	4/20	0.69

▸	GLP1R	P43220	11/20	0.62

▸	CCKBR	P32239	2/20	0.62

▸	CXCR4	P61073	1/20	0.61

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
SCHEMBL29812652	0.91	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29812657	0.91	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29706357	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29368944	0.90	NPY1R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29706164	0.90	NPY1R (0.69)	IL23RNPY2RNPY4RNPY5RNPY1R
SCHEMBL29706113	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29812904	0.89	NPY1R (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607498	0.89	NPY2R (0.70)	IL23RNPY2RNPY4RNPY5RNPY1R
SCHEMBL30615288	0.88	CXCR4 (0.68)	IL23RNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607284	0.87	NPY2R (0.64)	IL23RNPY2RNPY4RNPY5RNPY1R

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
US-20220073636-A1	ANTIBODY POLYPEPTIDES THAT ANTAGONIZE CD40L	DOMANTIS LIMITED (GB)	2022-03-10	—	—	US	disclosed