SCHEMBL30218808

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	F2	P00734	4/20	0.62

▸	OPRD1	P41143	5/20	0.61

▸	NTSR2	O95665	2/20	0.60

▸	NTSR1	P30989	2/20	0.60

▸	SORT1	Q99523	2/20	0.60

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
SCHEMBL30218807	0.93	NPY2R (0.65)	CALCR
SCHEMBL29711789	0.93	NPY2R (0.65)	CALCR
SCHEMBL31182878	0.90	CALCR (0.70)	CALCROPRD1
SCHEMBL30567772	0.90	CALCR (0.74)	CALCRF2
SCHEMBL30176448	0.89	OPRD1 (0.64)	CALCRF2OPRD1NTSR1
SCHEMBL29509548	0.89	TFPI (0.65)	CALCRF2
SCHEMBL30512571	0.88	OPRD1 (0.61)	F2OPRD1NTSR2NTSR1SORT1
SCHEMBL30435444	0.88	OPRD1 (0.67)	CALCROPRD1
SCHEMBL31000870	0.88	MAPK8 (0.67)	CALCR
SCHEMBL31182792	0.88	CALCR (0.76)	CALCRF2

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
CN-108473550-B	EGF (A) analogues with fatty acid substituents	诺和诺德股份有限公司	2022-11-22	—	—	CN	disclosed