SCHEMBL30037677

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

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	GLP1R	P43220	1/20	0.61

▸	GCGR	P47871	1/20	0.61

▸	GIPR	P48546	1/20	0.61

▸	VIPR1	P32241	4/20	0.60

▸	VIPR2	P41587	6/20	0.58

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

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
SCHEMBL30038758	0.95	VIPR1 (0.63)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30037373	0.94	TFPI (0.63)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30480570	0.90	VIPR1 (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL31163986	0.90	TFPI (0.62)	TFPIVIPR1VIPR2NPY2RNPY4R
SCHEMBL29357155	0.90	GLP1R (0.64)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30176435	0.89	VIPR1 (0.69)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30037703	0.89	BACE1 (0.58)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30432498	0.89	VIPR1 (0.57)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL30567776	0.89	TFPI (0.69)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL31182595	0.89	GLP1R (0.68)	TFPIGLP1RGCGRGIPRVIPR1

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	disclosed
WO-2022231424-A1	TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE	ALPHATHERA AG (CH)	2022-11-03	—	—	WO	disclosed