SCHEMBL30038639

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	12/20	0.60

▸	TFPI	P10646	1/20	0.53

▸	GRIN2D	O15399	1/20	0.51

▸	GRIN3B	O60391	1/20	0.51

▸	GRIN1	Q05586	1/20	0.51

▸	GRIN2A	Q12879	1/20	0.51

▸	GRIN2B	Q13224	1/20	0.51

▸	GRIN2C	Q14957	1/20	0.51

▸	GRIN3A	Q8TCU5	1/20	0.51

▸	NTSR2	O95665	1/20	0.50

▸	NTSR1	P30989	1/20	0.50

▸	NPY4R	P50391	3/20	0.49

▸	NPY1R	P25929	2/20	0.49

▸	NPY2R	P49146	2/20	0.49

▸	NPY5R	Q15761	2/20	0.49

▸	VIPR1	P32241	1/20	0.48

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
SCHEMBL30038033	0.94	KISS1R (0.61)	KISS1RTFPIGRIN2DGRIN3BGRIN1
SCHEMBL30037831	0.91	KISS1R (0.63)	KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL30030098	0.88	KISS1R (0.63)	KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL32665677	0.88	TFPI (0.53)	KISS1RTFPINTSR2NTSR1NPY4R
SCHEMBL30924748	0.87	TFPI (0.52)	KISS1RTFPINPY4RNPY1RNPY2R
SCHEMBL30622617	0.87	KISS1R (0.54)	KISS1RTFPINTSR2NTSR1NPY4R
SCHEMBL30342384	0.86	NTSR2 (0.62)	KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL29971465	0.83	NPY1R (0.56)	KISS1RTFPINTSR2NTSR1NPY4R
SCHEMBL30277898	0.83	VIPR2 (0.56)	KISS1RNTSR2NTSR1VIPR1
SCHEMBL29520980	0.83	VIPR2 (0.54)	KISS1RTFPINTSR2NTSR1VIPR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4329827-A1	TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE	Alphathera AG (CH)	2024-03-06	—	—	EP	claimed
WO-2022231424-A1	TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE	ALPHATHERA AG (CH)	2022-11-03	—	—	WO	claimed