SCHEMBL29533546

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.63

▸	IL23R	Q5VWK5	7/20	0.62

▸	PTH1R	Q03431	5/20	0.60

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	5/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

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
SCHEMBL29533859	1.00	C5AR1 (0.63)	C5AR1IL23RPTH1RKEAP1GLP1R
SCHEMBL29533850	1.00	C5AR1 (0.63)	C5AR1IL23RPTH1RKEAP1GLP1R
SCHEMBL29534240	1.00	C5AR1 (0.63)	C5AR1IL23RPTH1RKEAP1GLP1R
SCHEMBL29533423	0.95	C5AR1 (0.64)	C5AR1IL23RGLP1RGCGR
SCHEMBL29533909	0.95	C5AR1 (0.64)	C5AR1IL23RGLP1RGCGR
SCHEMBL29534048	0.95	C5AR1 (0.64)	C5AR1IL23RGLP1RGCGR
SCHEMBL29534073	0.95	C5AR1 (0.64)	C5AR1IL23RGLP1RGCGR
SCHEMBL29641037	0.94	IL23R (0.63)	C5AR1IL23RPTH1RKEAP1
SCHEMBL30037155	0.93	IL23R (0.62)	C5AR1IL23RPTH1RKEAP1GLP1R
SCHEMBL29389186	0.93	IL23R (0.62)	C5AR1IL23RPTH1RKEAP1GLP1R

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-20220133839-A1	PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S)	TXP PHARMA GMBH (CH)	2022-05-05	—	—	US	disclosed