SCHEMBL30522715

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.50

▸	TFPI	P10646	4/20	0.48

▸	APLNR	P35414	1/20	0.48

▸	KEAP1	Q14145	1/20	0.48

▸	OPRM1	P35372	2/20	0.47

▸	OPRD1	P41143	2/20	0.47

▸	OPRK1	P41145	2/20	0.47

▸	NPY1R	P25929	1/20	0.47

▸	NPY2R	P49146	1/20	0.47

▸	NPY4R	P50391	1/20	0.47

▸	NPY5R	Q15761	1/20	0.47

▸	CALCRL	Q16602	1/20	0.46

▸	CALCR	P30988	1/20	0.46

▸	CRHR1	P34998	1/20	0.46

▸	CRHR2	Q13324	1/20	0.46

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
SCHEMBL29664822	0.89	TFPI (0.50)	CXCR4TFPINPY1RNPY2RNPY4R
SCHEMBL30401916	0.87	NPY2R (0.52)	CXCR4TFPINPY1RNPY2RNPY4R
SCHEMBL29664598	0.87	CALCR (0.51)	CXCR4TFPINPY1RNPY2RNPY4R
SCHEMBL31467768	0.86	CXCR4 (0.55)	CXCR4TFPIOPRM1OPRK1NPY1R
SCHEMBL30401200	0.86	NPY2R (0.52)	CXCR4TFPIKEAP1NPY1RNPY2R
SCHEMBL30401788	0.86	NPY2R (0.52)	CXCR4TFPINPY1RNPY2RNPY4R
SCHEMBL30844365	0.86	F2 (0.47)	OPRM1OPRD1OPRK1NPY1RNPY2R
SCHEMBL30401792	0.85	NPY2R (0.49)	TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL30401072	0.85	NPY2R (0.49)	TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL30401758	0.85	NPY2R (0.49)	TFPINPY1RNPY2RNPY4RNPY5R

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
US-20230241029-A1	METHODS OF REDUCING POST-SURGICAL METASTASIS	HELLSTRAND KRISTOFFER (SE)	2023-08-03	—	—	US	disclosed