SCHEMBL30903277

CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	EPHA2	P29317	2/20	0.57

▸	CALCR	P30988	4/20	0.57

▸	CXCR4	P61073	2/20	0.56

▸	MC4R	P32245	1/20	0.56

▸	TFPI	P10646	2/20	0.55

▸	APLNR	P35414	1/20	0.55

▸	GLP1R	P43220	3/20	0.55

▸	GCGR	P47871	3/20	0.55

▸	CTSL	P07711	1/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	CTSS	P25774	1/20	0.55

▸	CTSK	P43235	1/20	0.55

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
SCHEMBL30495678	0.91	C5AR1 (0.66)	C5AR1CXCR4MC4RTFPIAPLNR
SCHEMBL30903266	0.91	C5AR1 (0.61)	C5AR1EPHA2CALCRMC4RTFPI
SCHEMBL30495793	0.90	CALCR (0.67)	C5AR1CALCRTFPIGLP1RGCGR
SCHEMBL29798188	0.89	C5AR1 (0.60)	C5AR1EPHA2CALCRCXCR4TFPI
SCHEMBL31182976	0.89	CALCR (0.70)	CALCRCXCR4APLNRGLP1R
SCHEMBL30883275	0.88	CALCR (0.62)	CALCRCTSLCTSHCTSSCTSK
SCHEMBL29662252	0.88	C5AR1 (0.66)	C5AR1CALCRCXCR4MC4RAPLNR
SCHEMBL29593954	0.88	C5AR1 (0.69)	C5AR1MC4RTFPI
SCHEMBL29593655	0.88	C5AR1 (0.69)	C5AR1MC4RTFPI
SCHEMBL29593115	0.88	C5AR1 (0.69)	C5AR1MC4RTFPI

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
US-20240148849-A1	IMMUNOGENIC COMPOSITION, USE AND METHODS	GLAXOSMITHKLINE BIOLOGICALS SA (BE)	2024-05-09	—	—	US	disclosed