SCHEMBL30950657

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

nearest known ligand 0.58

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	3/20	0.58

▸	OPRD1	P41143	3/20	0.58

▸	NPBWR1	P48145	6/20	0.56

▸	GRPR	P30550	3/20	0.55

▸	ERAP2	Q6P179	2/20	0.52

▸	PRMT1	Q99873	1/20	0.50

▸	KISS1R	Q969F8	1/20	0.49

▸	ECE1	P42892	2/20	0.49

▸	OPRK1	P41145	1/20	0.49

▸	IL1RN	P18510	1/20	0.49

▸	ERAP1	Q9NZ08	1/20	0.49

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
SCHEMBL31536185	0.92	PRMT1 (0.55)	OPRM1OPRD1NPBWR1GRPRERAP2
SCHEMBL30544342	0.89	ERAP2 (0.61)	OPRM1OPRD1ERAP2KISS1RECE1
SCHEMBL30690379	0.88	OPRD1 (0.60)	OPRM1OPRD1NPBWR1KISS1RECE1
SCHEMBL30415073	0.87	ERAP2 (0.59)	ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL31480030	0.87	ERAP2 (0.54)	GRPRERAP2KISS1RECE1IL1RN
SCHEMBL30810357	0.87	EDNRA (0.56)	ERAP2KISS1RECE1IL1RNERAP1
SCHEMBL10749608	0.86	OPRD1 (0.68)	OPRM1OPRD1NPBWR1ERAP2PRMT1
SCHEMBL29822316	0.86	ECE1 (0.58)	ERAP2ECE1IL1RNERAP1
SCHEMBL30503000	0.86	OPRM1 (0.63)	OPRM1OPRD1ERAP2KISS1RECE1
SCHEMBL30502993	0.85	CCKBR (0.58)	OPRM1OPRD1ERAP2KISS1RIL1RN

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-118240017-A	Tumor tissue affinity peptide and application thereof	中国药科大学	2024-06-25	—	—	CN	disclosed