SCHEMBL29533913

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)CC

nearest known ligand 0.75

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.75

▸	MC4R	P32245	3/20	0.66

▸	MC5R	P33032	2/20	0.66

▸	MC3R	P41968	2/20	0.66

▸	MC1R	Q01726	2/20	0.66

▸	CXCR4	P61073	9/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	IL23R	Q5VWK5	1/20	0.57

▸	CCKBR	P32239	2/20	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
SCHEMBL3060138	0.98	C5AR1 (0.73)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL13478067	0.96	C5AR1 (0.70)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30427315	0.92	C5AR1 (0.72)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30800876	0.92	C5AR1 (0.72)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533782	0.92	C5AR1 (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18281737	0.90	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30312751	0.90	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18281742	0.90	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
Norleusactide SCHEMBL38665957	0.90	C5AR1 (0.76)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533733	0.90	MC4R (0.78)	C5AR1MC4RMC5RMC3RMC1R

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