SCHEMBL30001569

CC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	16/20	0.71

▸	CALCA	P06881	2/20	0.62

▸	CXCR4	P61073	1/20	0.62

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
SCHEMBL29713985	0.98	IL23R (0.68)	IL23RCALCACXCR4
SCHEMBL29531669	0.96	IL23R (0.68)	IL23R
SCHEMBL29531957	0.93	IL23R (0.66)	IL23RCXCR4
SCHEMBL13282782	0.93	CXCL8 (0.62)	IL23RCXCR4
SCHEMBL29500420	0.88	IL23R (0.68)	IL23RCXCR4
SCHEMBL30658375	0.87	GLP1R (0.68)	CXCR4
SCHEMBL30041162	0.85	CALCA (0.64)	CALCACXCR4
SCHEMBL30973903	0.84	NPY1R (0.66)	IL23RCALCACXCR4
SCHEMBL31519866	0.84	IL23R (0.72)	IL23RCXCR4
SCHEMBL31519858	0.84	IL23R (0.72)	IL23RCXCR4

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
EP-3395373-B1	METHOD FOR LABELLING A BIOLOGICAL TARGETING MOLECULE VIA CONJUGATION WITH A RADIOISOTOPE SUITABLE FOR PET OR SPECT IMAGING	GE HEALTHCARE LTD (GB)	2022-10-19	—	—	EP	disclosed