SCHEMBL30590790

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ECE1	P42892	3/20	0.53

▸	ERAP2	Q6P179	3/20	0.51

▸	GHSR	Q92847	7/20	0.51

▸	IL1RN	P18510	2/20	0.49

▸	ERAP1	Q9NZ08	2/20	0.49

▸	UTS2R	Q9UKP6	1/20	0.49

▸	ACE	P12821	1/20	0.48

▸	NTSR2	O95665	1/20	0.48

▸	NTSR1	P30989	1/20	0.48

▸	SORT1	Q99523	1/20	0.48

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
SCHEMBL30590798	0.95	ERAP2 (0.56)	ECE1ERAP2GHSRIL1RNERAP1
SCHEMBL30590781	0.95	ERAP2 (0.56)	ECE1ERAP2GHSRIL1RNERAP1
SCHEMBL30259624	0.91	ERAP2 (0.58)	ECE1ERAP2GHSRIL1RNERAP1
SCHEMBL31399734	0.90	IL23R (0.51)	ERAP2GHSR
SCHEMBL31399744	0.90	IL23R (0.51)	GHSR
SCHEMBL29663506	0.89	GHSR (0.52)	ECE1ERAP2GHSRIL1RNERAP1
SCHEMBL31316304	0.89	GHSR (0.54)	GHSRUTS2R
SCHEMBL31399727	0.88	CXCR4 (0.53)	—
SCHEMBL29666218	0.88	GHSR (0.55)	GHSR
SCHEMBL29973734	0.88	GHSR (0.58)	GHSRUTS2R

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-116874563-A	PH responsive polypeptide with high transfection efficiency and application thereof	天津北洋康肽生物科技有限公司	2023-10-13	—	—	CN	disclosed