SCHEMBL30750449

CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.52

▸	GHSR	Q92847	4/20	0.52

▸	CTSL	P07711	3/20	0.52

▸	CTSS	P25774	3/20	0.52

▸	CTSK	P43235	3/20	0.52

▸	CTSH	P09668	1/20	0.52

▸	C5AR1	P21730	1/20	0.51

▸	CCKBR	P32239	3/20	0.51

▸	NPY1R	P25929	3/20	0.50

▸	NPY2R	P49146	3/20	0.50

▸	NPY4R	P50391	3/20	0.50

▸	MC4R	P32245	2/20	0.49

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
SCHEMBL30464993	0.95	IL23R (0.58)	IL23RCTSLCTSSCTSKCTSH
SCHEMBL30464981	0.93	IL23R (0.60)	IL23RGHSRCTSLCTSSCTSK
SCHEMBL30465002	0.93	IL23R (0.60)	IL23RGHSRCTSLCTSSCTSK
SCHEMBL30464997	0.92	IL23R (0.57)	IL23RCTSLCTSSCTSKCTSH
SCHEMBL29973131	0.91	C5AR1 (0.55)	IL23RGHSRC5AR1CCKBRNPY2R
SCHEMBL29384877	0.91	C5AR1 (0.55)	IL23RGHSRC5AR1CCKBRNPY2R
SCHEMBL30464982	0.91	IL23R (0.59)	IL23RGHSRCTSLCTSSCTSK
SCHEMBL29973259	0.90	GLP1R (0.52)	IL23RCTSLCTSSCTSKCTSH
SCHEMBL29814670	0.89	IL23R (0.61)	IL23RGHSRCCKBRMC4R
SCHEMBL1370998	0.89	IL23R (0.65)	IL23RCTSLCTSSCTSKCTSH

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-3030256-B1	NDP-MSH FOR USE IN THE TREATMENT OF MULTIPLE SCLEROSIS	CLINUVEL PHARMACEUTICALS LTD (AU)	2024-01-24	—	—	EP	disclosed