SCHEMBL9542436

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	1/20	0.36

▸	HDAC8	Q9BY41	2/20	0.35

▸	PTPN1	P18031	1/20	0.35

▸	KLK7	P49862	1/20	0.35

▸	NR1H2	P55055	2/20	0.34

▸	NR1H3	Q13133	2/20	0.34

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
SCHEMBL9543611	0.92	ACE (0.40)	—
SCHEMBL9544041	0.89	OPRD1 (0.40)	OPRD1
SCHEMBL9544782	0.88	OPRD1 (0.36)	OPRD1
SCHEMBL9544069	0.88	OPRD1 (0.36)	OPRD1
SCHEMBL9544396	0.87	OPRD1 (0.39)	OPRD1
SCHEMBL9544094	0.87	OPRD1 (0.39)	OPRD1
SCHEMBL9542902	0.86	ACE (0.41)	—
SCHEMBL9544287	0.84	OPRD1 (0.47)	OPRD1HDAC8
SCHEMBL9542442	0.81	HTRA1 (0.39)	OPRD1
SCHEMBL9542668	0.81	HTRA1 (0.39)	OPRD1

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