SCHEMBL30065757

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	11/20	0.65

▸	IL1RN	P18510	11/20	0.57

▸	ERAP1	Q9NZ08	5/20	0.57

▸	KISS1R	Q969F8	3/20	0.54

▸	MAGI3	Q5TCQ9	1/20	0.53

▸	ECE1	P42892	2/20	0.50

▸	NPBWR1	P48145	1/20	0.50

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
SCHEMBL30617785	0.93	ERAP2 (0.64)	ERAP2IL1RNERAP1KISS1RMAGI3
SCHEMBL31632761	0.91	ERAP2 (0.61)	ERAP2IL1RNERAP1KISS1RMAGI3
SCHEMBL31018948	0.91	ERAP2 (0.66)	ERAP2IL1RNERAP1KISS1RECE1
SCHEMBL30465916	0.91	ERAP2 (0.64)	ERAP2IL1RNERAP1ECE1
SCHEMBL30465848	0.90	ERAP2 (0.71)	ERAP2IL1RNERAP1KISS1RMAGI3
SCHEMBL30789083	0.89	ERAP2 (0.62)	ERAP2IL1RNERAP1KISS1RNPBWR1
SCHEMBL30839328	0.88	ERAP2 (0.73)	ERAP2IL1RNERAP1ECE1
SCHEMBL29354013	0.88	ERAP2 (0.76)	ERAP2IL1RNERAP1ECE1
SCHEMBL30465913	0.88	ERAP2 (0.66)	ERAP2IL1RNERAP1KISS1RMAGI3
SCHEMBL31494763	0.87	ERAP2 (0.59)	ERAP2IL1RNERAP1KISS1RMAGI3

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-113501871-B	Method for preparing darunavagon by combining solid phase with liquid phase	汉肽生物医药集团有限公司	2022-10-28	—	—	CN	disclosed