SCHEMBL9543391

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	HTR1A	P08908	7/20	0.37

▸	HTR7	P34969	7/20	0.37

▸	HTR2A	P28223	1/20	0.37

▸	HTR6	P50406	1/20	0.37

▸	XIAP	P98170	1/20	0.36

▸	PREP	P48147	1/20	0.35

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
SCHEMBL9544357	0.93	ACE (0.38)	—
SCHEMBL9545027	0.93	ACE (0.38)	—
SCHEMBL9542806	0.93	ACE (0.38)	—
SCHEMBL9544069	0.88	OPRD1 (0.36)	—
SCHEMBL9544782	0.88	OPRD1 (0.36)	—
SCHEMBL9543563	0.88	UCHL1 (0.41)	PREP
SCHEMBL9543967	0.88	UCHL1 (0.41)	PREP
SCHEMBL9545274	0.88	UCHL1 (0.41)	PREP
SCHEMBL9543974	0.88	UCHL1 (0.41)	PREP
SCHEMBL9543556	0.88	UCHL1 (0.41)	PREP

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