SCHEMBL9542782

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC(=O)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
▸	HDAC8	Q9BY41	4/20	0.39

▸	PTPN1	P18031	1/20	0.39

▸	TDP1	Q9NUW8	1/20	0.35

▸	CXCR3	P49682	1/20	0.35

▸	NAMPT	P43490	1/20	0.35

▸	OPRD1	P41143	1/20	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
SCHEMBL9544824	0.95	HDAC8 (0.38)	HDAC8PTPN1TDP1
SCHEMBL9544357	0.89	ACE (0.38)	—
SCHEMBL9545027	0.89	ACE (0.38)	—
SCHEMBL9542806	0.89	ACE (0.38)	—
SCHEMBL9544069	0.87	OPRD1 (0.36)	OPRD1
SCHEMBL9544782	0.87	OPRD1 (0.36)	OPRD1
SCHEMBL9543391	0.87	HTR1A (0.37)	—
SCHEMBL9542796	0.85	OPRD1 (0.35)	OPRD1
SCHEMBL9545274	0.83	UCHL1 (0.41)	HDAC8OPRD1
SCHEMBL9543563	0.83	UCHL1 (0.41)	HDAC8OPRD1

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