SCHEMBL29798261

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

nearest known ligand 0.60

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.60

▸	TFPI	P10646	4/20	0.57

▸	APLNR	P35414	2/20	0.57

▸	KDM1A	O60341	3/20	0.57

▸	MC4R	P32245	1/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	CALCR	P30988	4/20	0.56

▸	GLP1R	P43220	1/20	0.55

▸	GCGR	P47871	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
SCHEMBL29797992	0.96	C5AR1 (0.58)	C5AR1TFPIAPLNRKDM1ACALCR
SCHEMBL29798188	0.96	C5AR1 (0.60)	C5AR1TFPICALCRGLP1RGCGR
SCHEMBL31182896	0.89	CALCR (0.66)	TFPICALCRGLP1RGCGR
SCHEMBL30358145	0.88	CALCR (0.68)	TFPIAPLNRCALCRGLP1RGCGR
SCHEMBL31688333	0.88	APLNR (0.65)	C5AR1TFPIAPLNRMC4RCALCR
SCHEMBL30495678	0.88	C5AR1 (0.66)	C5AR1TFPIAPLNRMC4R
SCHEMBL30431858	0.88	APLNR (0.61)	C5AR1TFPIAPLNRCALCRGLP1R
SCHEMBL30712933	0.88	C5AR1 (0.62)	C5AR1APLNRKDM1AMAOBKDM5A
SCHEMBL29798291	0.88	CALCR (0.54)	CALCR
SCHEMBL29700297	0.88	APLNR (0.66)	C5AR1TFPIAPLNRKDM1ACALCR

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