SCHEMBL29533782

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)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

nearest known ligand 0.77

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.77

▸	MC4R	P32245	3/20	0.77

▸	MC5R	P33032	2/20	0.77

▸	MC3R	P41968	2/20	0.77

▸	MC1R	Q01726	2/20	0.77

▸	CXCR4	P61073	5/20	0.62

▸	IL23R	Q5VWK5	1/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	CTSL	P07711	3/20	0.59

▸	CTSS	P25774	3/20	0.59

▸	CTSK	P43235	3/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	NMBR	P28336	1/20	0.59

▸	GRPR	P30550	1/20	0.59

▸	GCGR	P47871	2/20	0.58

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
SCHEMBL18281737	0.98	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30312751	0.98	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18281742	0.98	MC4R (0.77)	C5AR1MC4RMC5RMC3RMC1R
Norleusactide SCHEMBL38665957	0.96	C5AR1 (0.76)	C5AR1MC4RMC5RMC3RMC1R
Afamelanotide SCHEMBL22463810	0.96	MC4R (0.81)	C5AR1MC4RMC5RMC3RMC1R
Afamelanotide SCHEMBL29352792	0.96	MC4R (0.81)	C5AR1MC4RMC5RMC3RMC1R
Afamelanotide SCHEMBL29419548	0.96	MC4R (0.81)	C5AR1MC4RMC5RMC3RMC1R
Afamelanotide SCHEMBL22463811	0.96	MC4R (0.81)	C5AR1MC4RMC5RMC3RMC1R
Afamelanotide SCHEMBL29533175	0.96	MC4R (0.80)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533733	0.96	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