SCHEMBL29430190

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.49

▸	NTSR1	P30989	3/20	0.48

▸	CAPN1	P07384	2/20	0.48

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

▸	NTSR2	O95665	1/20	0.45

▸	NPY2R	P49146	7/20	0.45

▸	NPY4R	P50391	7/20	0.45

▸	NPY5R	Q15761	7/20	0.45

▸	NPY1R	P25929	5/20	0.45

▸	EP300	Q09472	1/20	0.44

▸	HIF1A	Q16665	1/20	0.44

▸	RAMP3	O60896	2/20	0.44

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
SCHEMBL31688339	0.94	CAPN1 (0.51)	CALCRNTSR1CAPN1NTSR2NPY2R
SCHEMBL31688350	0.94	CALCR (0.50)	CALCRNTSR1CAPN1CRHR1CRHR2
SCHEMBL31688307	0.92	CALCR (0.49)	CALCRNTSR1CAPN1CRHR1CRHR2
SCHEMBL31683366	0.88	CALCR (0.56)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30478749	0.88	CALCR (0.56)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29456320	0.86	NTSR1 (0.53)	CALCRNTSR1CRHR1CRHR2NTSR2
SCHEMBL30277957	0.86	NPY2R (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29657237	0.86	CAPN1 (0.46)	CALCRNTSR1CAPN1NTSR2NPY2R
SCHEMBL31000891	0.85	CALCR (0.57)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495714	0.85	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R

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