SCHEMBL9543554

CC(C)(C)CC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	2/20	0.40

▸	POLB	P06746	1/20	0.39

▸	TP53	P04637	1/20	0.38

▸	DRD4	P21917	1/20	0.38

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
SCHEMBL9542933	0.87	ACE (0.38)	ACEPOLB
SCHEMBL9545027	0.87	ACE (0.38)	ACEPOLB
SCHEMBL9542806	0.87	ACE (0.38)	ACEPOLB
SCHEMBL9544357	0.87	ACE (0.38)	ACEPOLB
SCHEMBL9542403	0.86	POLB (0.40)	ACEPOLB
SCHEMBL9544017	0.86	ACE (0.37)	ACEPOLB
SCHEMBL9544030	0.86	ACE (0.37)	ACEPOLB
SCHEMBL9543854	0.82	ACE (0.42)	ACE
SCHEMBL9542560	0.82	FFAR2 (0.35)	ACEPOLB
SCHEMBL9542892	0.81	PREP (0.46)	—

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