SCHEMBL9544444

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCCCC1C(=O)O.CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BCHE	P06276	13/20	0.43

▸	ACHE	P22303	2/20	0.42

▸	MC4R	P32245	2/20	0.41

▸	MC3R	P41968	2/20	0.41

▸	ACE	P12821	3/20	0.41

▸	ACE2	Q9BYF1	3/20	0.41

▸	CYP2C19	P33261	1/20	0.40

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
SCHEMBL9542661	0.99	BCHE (0.44)	BCHEACHEMC4RMC3RACE
SCHEMBL9544842	0.99	BCHE (0.44)	BCHEACHEMC4RMC3R
SCHEMBL9542655	0.99	BCHE (0.44)	BCHEACHEMC4RMC3RACE
SCHEMBL9543637	0.93	MAPK1 (0.46)	BCHEACHEMC4RMC3R
SCHEMBL9542603	0.93	ALDH1A1 (0.47)	BCHEACHEMC4RMC3R
SCHEMBL9543634	0.93	MAPK1 (0.46)	BCHEACHEMC4RMC3R
SCHEMBL9544859	0.93	TACR1 (0.45)	BCHEACHEMC4RMC3RACE
SCHEMBL9544429	0.93	TACR1 (0.45)	BCHEACHEMC4RMC3RACE
SCHEMBL9544435	0.93	TACR1 (0.45)	BCHEACHEMC4RMC3RACE
SCHEMBL9544825	0.93	TACR1 (0.45)	BCHEACHEMC4RMC3RACE

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
WO-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	disclosed