SCHEMBL30883974

CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	4/20	0.55

▸	CHRNA7	P36544	1/20	0.52

▸	GLP1R	P43220	2/20	0.52

▸	GCGR	P47871	2/20	0.52

▸	EPHA2	P29317	7/20	0.50

▸	ACE2	Q9BYF1	2/20	0.50

▸	ACE	P12821	1/20	0.50

▸	MC4R	P32245	1/20	0.49

▸	MC3R	P41968	1/20	0.49

▸	MC1R	Q01726	1/20	0.49

▸	F11	P03951	1/20	0.49

▸	RXFP4	Q8TDU9	2/20	0.49

▸	RXFP3	Q9NSD7	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
SCHEMBL29483659	1.00	KLK5 (0.55)	KLK5CHRNA7GLP1RGCGREPHA2
SCHEMBL23824134	0.81	CHRNA7 (0.61)	KLK5CHRNA7
SCHEMBL23824135	0.76	ACE2 (0.57)	KLK5EPHA2ACE2ACE
SCHEMBL29511745	0.74	INSR (0.61)	KLK5ACE2ACEMC4RMC3R
SCHEMBL28586826	0.74	RXFP4 (0.61)	KLK5GLP1RGCGRMC4RMC1R
SCHEMBL29392338	0.74	TSLP (0.57)	GLP1RGCGRMC4RMC3RF11
SCHEMBL29476611	0.74	TSLP (0.54)	MC4RMC3RF11
SCHEMBL29482473	0.74	F11 (0.56)	GLP1RGCGRF11
SCHEMBL29461365	0.74	KLK5 (0.57)	KLK5GLP1RF11RXFP4RXFP3
SCHEMBL31332040	0.73	SSTR2 (0.64)	GLP1RGCGRRXFP4RXFP3

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-20240158447-A1	PEPTIDES FOR USE IN THE TREATMENT OR PREVENTION OF MYOCARDIAL DAMAGE	UNIV WESTERN AUSTRALIA (AU)	2024-05-16	—	—	US	disclosed