SCHEMBL31320779

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

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.40

▸	HCRTR1	O43613	1/20	0.38

▸	HCRTR2	O43614	1/20	0.38

▸	IL23R	Q5VWK5	5/20	0.37

▸	ITGB3	P05106	1/20	0.36

▸	ITGAV	P06756	1/20	0.36

▸	GLP1R	P43220	2/20	0.36

▸	CRHR1	P34998	1/20	0.36

▸	CRHR2	Q13324	1/20	0.36

▸	SCTR	P47872	1/20	0.36

▸	CXCR4	P61073	1/20	0.35

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
SCHEMBL4200033	0.94	CALCR (0.39)	CALCRHCRTR1HCRTR2IL23RITGB3
SCHEMBL4200040	0.94	CALCR (0.39)	CALCRHCRTR1HCRTR2IL23RITGB3
SCHEMBL31514341	0.92	BACE1 (0.38)	CALCRGLP1RCRHR1CRHR2SCTR
SCHEMBL29682077	0.92	CALCR (0.40)	CALCRHCRTR1HCRTR2IL23RGLP1R
SCHEMBL29833166	0.91	CALCR (0.38)	CALCRHCRTR1HCRTR2IL23RCXCR4
SCHEMBL4216003	0.90	CALCR (0.39)	CALCRHCRTR1HCRTR2IL23R
SCHEMBL29622914	0.90	SLC15A2 (0.38)	ITGB3ITGAVCRHR1CRHR2
SCHEMBL29530561	0.88	SLC15A2 (0.39)	CALCRGLP1RCRHR1CRHR2SCTR
SCHEMBL31717951	0.86	C5AR1 (0.39)	CALCRIL23R
SCHEMBL30600995	0.86	SLC15A2 (0.39)	—

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-119215193-A	Method for preparing antibody-drug conjugate by using cyclodextrin compound	上海药明合联生物技术有限公司	2024-12-31	—	—	CN	disclosed