SCHEMBL29815289

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.59

▸	DPP3	Q9NY33	5/20	0.56

▸	CAPN1	P07384	2/20	0.56

▸	CTSB	P07858	2/20	0.56

▸	ERAP2	Q6P179	1/20	0.52

▸	SLC6A2	P23975	1/20	0.52

▸	CXCL8	P10145	3/20	0.52

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	SORT1	Q99523	1/20	0.51

▸	F13A1	P00488	1/20	0.50

▸	TGM2	P21980	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
SCHEMBL30537464	0.93	KISS1R (0.61)	KISS1RDPP3CAPN1CTSBSLC6A2
SCHEMBL30262141	0.87	CXCL8 (0.56)	KISS1RDPP3CAPN1CTSBCXCL8
SCHEMBL30424301	0.85	SLC6A2 (0.63)	KISS1RDPP3SLC6A2CXCL8
Nerofe SCHEMBL31146290	0.85	CXCR4 (0.62)	KISS1R
SCHEMBL30690107	0.85	CAPN1 (0.59)	DPP3CAPN1CTSBERAP2CXCL8
SCHEMBL30690108	0.85	CAPN1 (0.59)	DPP3CAPN1CTSBERAP2CXCL8
SCHEMBL30949450	0.85	SLC6A2 (0.61)	KISS1RDPP3CAPN1CTSBSLC6A2
SCHEMBL29602399	0.85	KISS1R (0.65)	KISS1RCAPN1CTSBNTSR2NTSR1
SCHEMBL30949449	0.85	CAPN1 (0.61)	KISS1RDPP3CAPN1CTSBSLC6A2
SCHEMBL32681272	0.85	DPP3 (0.62)	KISS1RDPP3CAPN1CTSBNTSR2

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-110790829-B	Application of antibody prepared by using pHLIP extracellular segment as antigen in preparation of antitumor drugs	北京泽勤生物医药有限公司	2022-08-02	—	—	CN	disclosed