SCHEMBL30427910

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.62

▸	CTSL	P07711	3/20	0.60

▸	CTSS	P25774	3/20	0.60

▸	CTSK	P43235	3/20	0.60

▸	CTSH	P09668	1/20	0.60

▸	MC4R	P32245	3/20	0.58

▸	MC5R	P33032	2/20	0.58

▸	MC3R	P41968	2/20	0.58

▸	MC1R	Q01726	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.56

▸	APLNR	P35414	1/20	0.54

▸	CXCR4	P61073	7/20	0.52

▸	KISS1R	Q969F8	1/20	0.51

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL29430240	0.98	CTSL (0.61)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30427315	0.92	C5AR1 (0.72)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30800876	0.89	C5AR1 (0.72)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL16455231	0.87	C5AR1 (0.68)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31650786	0.86	MC4R (0.64)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL14552191	0.86	CTSL (0.60)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL23660911	0.86	CTSL (0.65)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL23660892	0.86	CTSL (0.65)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL23660890	0.86	CTSL (0.65)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL23660928	0.86	CTSL (0.65)	C5AR1CTSLCTSSCTSKCTSH

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
WO-2023091689-A1	COMBINED USE OF MCR1-DIRECTED RADIOTHERAPY AND IMMUNE CHECKPOINT INHIBITION IN THE TREATMENT OF MELANOMA	UNIVERSITY OF IOWA RESEARCH FOUNDATION (US)	2023-05-25	—	—	WO	disclosed