SCHEMBL30488934

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.52

▸	RAMP1	O60894	1/20	0.52

▸	F2	P00734	4/20	0.48

▸	SLC6A2	P23975	1/20	0.46

▸	CALCR	P30988	4/20	0.46

▸	PTPN1	P18031	1/20	0.46

▸	CMA1	P23946	1/20	0.45

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
SCHEMBL30974474	0.85	CALCRL (0.59)	CALCRLRAMP1F2SLC6A2CALCR
SCHEMBL29641693	0.83	SLC6A2 (0.48)	CALCRLF2SLC6A2CALCRPTPN1
SCHEMBL30974096	0.82	CALCR (0.62)	F2CALCR
SCHEMBL31324067	0.81	LNPEP (0.55)	F2SLC6A2
SCHEMBL30785945	0.81	SLC6A2 (0.61)	CALCRLRAMP1SLC6A2
SCHEMBL31126252	0.81	F2 (0.45)	F2CALCR
SCHEMBL31195334	0.81	CALCRL (0.53)	CALCRLRAMP1F2SLC6A2
SCHEMBL30974054	0.80	CALCRL (0.56)	CALCRLCALCR
SCHEMBL30366772	0.80	MC4R (0.47)	CALCRLF2
SCHEMBL38652354	0.80	SLC6A2 (0.55)	SLC6A2

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-116041424-A	Tumor-associated gene BCL6 mutant short peptide and application thereof in tumor vaccine	张腾飞	2023-05-02	—	—	CN	disclosed