SCHEMBL29833166

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.38

▸	SLC15A2	Q16348	1/20	0.38

▸	IL23R	Q5VWK5	4/20	0.37

▸	UTS2R	Q9UKP6	1/20	0.37

▸	HCRTR1	O43613	1/20	0.36

▸	HCRTR2	O43614	1/20	0.36

▸	CXCR4	P61073	1/20	0.36

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
SCHEMBL29682077	0.95	CALCR (0.40)	CALCRSLC15A2IL23RHCRTR1HCRTR2
SCHEMBL30600995	0.94	SLC15A2 (0.39)	SLC15A2
SCHEMBL29622914	0.93	SLC15A2 (0.38)	SLC15A2
SCHEMBL29530561	0.92	SLC15A2 (0.39)	CALCRSLC15A2
SCHEMBL4216003	0.91	CALCR (0.39)	CALCRIL23RHCRTR1HCRTR2
SCHEMBL29381521	0.91	BACE1 (0.40)	SLC15A2
SCHEMBL31320779	0.91	CALCR (0.40)	CALCRIL23RHCRTR1HCRTR2CXCR4
SCHEMBL4200033	0.91	CALCR (0.39)	CALCRSLC15A2IL23RHCRTR1HCRTR2
SCHEMBL4200040	0.91	CALCR (0.39)	CALCRSLC15A2IL23RHCRTR1HCRTR2
SCHEMBL29732685	0.89	SLC15A2 (0.44)	SLC15A2

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-111479618-B	System and method for characterizing pharmaceutical product impurities	瑞泽恩制药公司	2022-08-02	—	—	CN	disclosed