SCHEMBL29678374

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	CTSB	P07858	1/20	0.51

▸	PSEN1	P49768	2/20	0.51

▸	PSEN2	P49810	2/20	0.51

▸	APH1B	Q8WW43	2/20	0.51

▸	NCSTN	Q92542	2/20	0.51

▸	APH1A	Q96BI3	2/20	0.51

▸	PSENEN	Q9NZ42	2/20	0.51

▸	TFPI	P10646	1/20	0.51

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
SCHEMBL31230203	0.93	OPRM1 (0.60)	OPRM1OPRD1OPRK1CTSB
SCHEMBL29678561	0.92	CCKAR (0.51)	OPRM1OPRD1OPRK1TFPI
SCHEMBL29678509	0.91	NPY4R (0.60)	—
SCHEMBL29678408	0.88	PSEN1 (0.45)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29973377	0.87	OPRM1 (0.56)	OPRM1OPRD1OPRK1CTSB
SCHEMBL29406603	0.86	CTSB (0.54)	OPRM1OPRD1OPRK1CTSB
SCHEMBL31554789	0.84	BACE1 (0.57)	OPRK1
SCHEMBL29568486	0.84	OPRM1 (0.57)	OPRM1OPRD1OPRK1CTSB
SCHEMBL29678344	0.83	NPY4R (0.56)	—
SCHEMBL29569383	0.83	OPRM1 (0.57)	OPRM1OPRD1OPRK1CTSB

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
US-11352391-B2	Compositions for inducing urinary voiding and defecation	DIGNIFY THERAPEUTICS, LLC (US)	2022-06-07	—	—	US	disclosed