SCHEMBL29430161

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.56

▸	NPY4R	P50391	8/20	0.56

▸	NPY5R	Q15761	8/20	0.56

▸	NPY1R	P25929	6/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	GLP1R	P43220	4/20	0.53

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

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
SCHEMBL30350078	0.86	OPRD1 (0.61)	CALCR
SCHEMBL30277958	0.86	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607348	0.85	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432729	0.85	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906483	0.85	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432355	0.84	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607403	0.84	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29558249	0.84	OPRD1 (0.59)	NPY2RNPY4RNPY5RCALCRCRHR1
SCHEMBL30437207	0.84	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000874	0.84	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR

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