SCHEMBL29798188

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

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.60

▸	TFPI	P10646	5/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	GLP1R	P43220	3/20	0.54

▸	GCGR	P47871	3/20	0.54

▸	EPHA2	P29317	1/20	0.54

▸	CXCR4	P61073	1/20	0.54

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
SCHEMBL29798261	0.96	C5AR1 (0.60)	C5AR1TFPICALCRGLP1RGCGR
SCHEMBL29797992	0.92	C5AR1 (0.58)	C5AR1TFPICALCR
SCHEMBL30903277	0.89	C5AR1 (0.65)	C5AR1TFPICALCRGLP1RGCGR
SCHEMBL31182896	0.88	CALCR (0.66)	TFPICALCRGLP1RGCGR
SCHEMBL30358145	0.88	CALCR (0.68)	TFPICALCRGLP1RGCGR
SCHEMBL30431858	0.87	APLNR (0.61)	C5AR1TFPICALCRGLP1RGCGR
SCHEMBL29477071	0.87	GLP1R (0.66)	C5AR1GLP1RGCGRCXCR4
SCHEMBL29798291	0.87	CALCR (0.54)	CALCR
SCHEMBL30974481	0.87	C5AR1 (0.61)	C5AR1CALCRCXCR4
SCHEMBL29678024	0.87	OPRM1 (0.58)	C5AR1CALCR

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-20220259265-A1	Inhibitors and Use Thereof in Cancer Treatment	THE UNIVERSITY OF SYDNEY (AU)	2022-08-18	—	—	US	disclosed