SCHEMBL31281377

CC(C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.51

▸	CAPN1	P07384	3/20	0.46

▸	RAMP1	O60894	1/20	0.45

▸	EPHA2	P29317	2/20	0.41

▸	SLC6A2	P23975	1/20	0.40

▸	NPY2R	P49146	5/20	0.40

▸	NPY4R	P50391	5/20	0.40

▸	NPY5R	Q15761	5/20	0.40

▸	NPY1R	P25929	3/20	0.40

▸	CMA1	P23946	1/20	0.40

▸	XIAP	P98170	1/20	0.40

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
SCHEMBL30547998	0.87	CAPN1 (0.48)	CALCRLCAPN1SLC6A2CMA1
SCHEMBL29638071	0.85	CAPN1 (0.47)	CALCRLCAPN1SLC6A2XIAP
SCHEMBL30571124	0.83	XIAP (0.48)	CALCRLCAPN1XIAP
SCHEMBL29591198	0.83	CAPN1 (0.42)	CALCRLCAPN1SLC6A2
SCHEMBL31256993	0.83	CAPN1 (0.46)	CALCRLCAPN1RAMP1SLC6A2XIAP
SCHEMBL29611345	0.82	EPHA2 (0.50)	CALCRLEPHA2NPY2RNPY4RNPY5R
SCHEMBL30525445	0.82	CAPN1 (0.53)	CALCRLCAPN1RAMP1EPHA2SLC6A2
SCHEMBL29611475	0.81	CALCRL (0.44)	CALCRLCAPN1
SCHEMBL29918055	0.81	OPRM1 (0.46)	CALCRLCAPN1EPHA2NPY2RNPY4R
SCHEMBL31316156	0.80	CALCRL (0.58)	CALCRLCAPN1RAMP1SLC6A2XIAP

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
WO-2024241964-A1	COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF	遠友ファーマ株式会社	2024-11-28	—	—	WO	disclosed