SCHEMBL9544857

COC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OCC(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	DRD2	P14416	2/20	0.35

▸	DRD4	P21917	2/20	0.35

▸	PREP	P48147	1/20	0.35

▸	KLK5	Q9Y337	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	TSHR	P16473	1/20	0.34

▸	RIPK1	Q13546	1/20	0.34

▸	UCHL1	P09936	1/20	0.34

▸	OPRD1	P41143	1/20	0.34

▸	FKBP1A	P62942	1/20	0.33

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
SCHEMBL9544849	1.00	DRD2 (0.35)	DRD2DRD4PREPKLK5ALDH1A1
SCHEMBL9545343	0.94	PREP (0.36)	PREPALDH1A1RIPK1UCHL1
SCHEMBL9545339	0.94	PREP (0.36)	PREPALDH1A1RIPK1UCHL1
SCHEMBL9545305	0.91	UCHL1 (0.40)	DRD2DRD4PREPKLK5RIPK1
SCHEMBL9545317	0.91	UCHL1 (0.40)	DRD2DRD4PREPKLK5RIPK1
SCHEMBL9545307	0.91	UCHL1 (0.40)	DRD2DRD4PREPKLK5RIPK1
SCHEMBL9545324	0.91	UCHL1 (0.40)	DRD2DRD4PREPKLK5RIPK1
SCHEMBL9542933	0.88	ACE (0.38)	—
SCHEMBL9543457	0.87	PREP (0.36)	DRD2DRD4PREPCYP3A4
SCHEMBL9543454	0.87	PREP (0.36)	DRD2DRD4PREPCYP3A4

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