SCHEMBL31362650

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.64

▸	CTSB	P07858	2/20	0.64

▸	CXCR4	P61073	5/20	0.55

▸	DPP3	Q9NY33	5/20	0.55

▸	OPRD1	P41143	2/20	0.54

▸	CXCL8	P10145	4/20	0.52

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	SORT1	Q99523	1/20	0.51

▸	GNRHR	P30968	1/20	0.51

▸	TACR1	P25103	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
SCHEMBL31362653	0.96	CAPN1 (0.62)	CAPN1CTSBCXCR4DPP3OPRD1
SCHEMBL31579553	0.88	NTSR2 (0.56)	CAPN1CTSBCXCR4DPP3OPRD1
SCHEMBL30633418	0.86	DPP3 (0.60)	CAPN1CTSBCXCR4DPP3OPRD1
SCHEMBL9728122	0.86	CAPN1 (0.64)	CAPN1CTSBCXCR4DPP3OPRD1
SCHEMBL30288104	0.85	DPP3 (0.71)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29713766	0.85	DPP3 (0.63)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL32681272	0.83	DPP3 (0.62)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30788691	0.83	NTSR2 (0.55)	CAPN1CTSBCXCR4DPP3OPRD1
SCHEMBL30051252	0.83	DPP3 (0.65)	CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31307906	0.83	DPP3 (0.53)	CAPN1CTSBCXCR4DPP3OPRD1

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-119390815-A	Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof	张少辉	2025-02-07	—	—	CN	disclosed