SCHEMBL22003312

C/C(=N/O)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC1=O)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TSLP	Q969D9	12/20	0.47

▸	GRB7	Q14451	1/20	0.44

▸	MC4R	P32245	3/20	0.44

▸	MC5R	P33032	3/20	0.44

▸	MC3R	P41968	3/20	0.44

▸	MC1R	Q01726	3/20	0.44

▸	CTSG	P08311	2/20	0.44

▸	ITGB3	P05106	2/20	0.44

▸	ITGB1	P05556	2/20	0.44

▸	ITGAV	P06756	2/20	0.44

▸	ITGA5	P08648	2/20	0.44

▸	ITGB5	P18084	1/20	0.43

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
SCHEMBL10052624	1.00	TSLP (0.47)	TSLPGRB7MC4RMC5RMC3R
SCHEMBL23057562	1.00	TSLP (0.47)	TSLPGRB7MC4RMC5RMC3R
SCHEMBL10046409	1.00	TSLP (0.47)	TSLPGRB7MC4RMC5RMC3R
SCHEMBL12353621	0.94	TSLP (0.50)	TSLPGRB7MC4RMC5RMC3R
SCHEMBL13887745	0.94	MC4R (0.44)	TSLPMC4RMC5RMC3RMC1R
SCHEMBL16326787	0.92	ITGB3 (0.45)	TSLPMC4RMC5RMC3RMC1R
SCHEMBL16349760	0.92	MC4R (0.47)	TSLPGRB7MC4RMC5RMC3R
SCHEMBL13887996	0.91	ITGB3 (0.49)	TSLPMC4RMC5RMC3RMC1R
SCHEMBL20809940	0.91	ITGB3 (0.49)	TSLPMC4RMC5RMC3RMC1R
SCHEMBL12462751	0.91	ITGB3 (0.49)	TSLPMC4RMC5RMC3RMC1R

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
EP-2598175-B1	RADIOPHARMACEUTICAL COMPOSITIONS	SERAC HEALTHCARE LTD (GB)	2020-05-20	—	—	EP	disclosed