SCHEMBL9544802

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	6/20	0.46

▸	ABCB11	O95342	1/20	0.46

▸	CXCR3	P49682	2/20	0.42

▸	FNTA	P49354	1/20	0.41

▸	FNTB	P49356	1/20	0.41

▸	PTPN1	P18031	1/20	0.41

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
SCHEMBL9543839	0.92	ACE (0.43)	ACE
SCHEMBL9542908	0.90	ACE (0.45)	ACEABCB11PTPN1
SCHEMBL9542952	0.85	ELANE (0.40)	ACE
SCHEMBL9542953	0.85	ELANE (0.40)	ACE
SCHEMBL9542677	0.85	XIAP (0.45)	CXCR3
SCHEMBL9544111	0.85	ELANE (0.47)	FNTAFNTB
SCHEMBL9544106	0.85	ELANE (0.47)	FNTAFNTB
SCHEMBL9542672	0.85	XIAP (0.45)	CXCR3
SCHEMBL9544279	0.84	CTSK (0.52)	ACEABCB11CXCR3
SCHEMBL9543240	0.83	GZMB (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