SCHEMBL11773146

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	11/20	0.49

▸	NMUR1	Q9HB89	10/20	0.49

▸	CTSD	P07339	2/20	0.45

▸	CTSE	P14091	2/20	0.45

▸	BACE1	P56817	2/20	0.45

▸	REN	P00797	1/20	0.44

▸	OPRM1	P35372	1/20	0.44

▸	OPRD1	P41143	1/20	0.44

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
SCHEMBL11773038	0.94	REN (0.47)	NMUR2NMUR1RENOPRM1OPRD1
SCHEMBL11774049	0.92	NPY1R (0.48)	NMUR2NMUR1OPRD1
SCHEMBL11773837	0.91	NMUR2 (0.52)	NMUR2NMUR1OPRM1OPRD1
SCHEMBL11772386	0.91	NPY1R (0.48)	NMUR2NMUR1RENOPRD1
SCHEMBL11773127	0.90	NMUR2 (0.48)	NMUR2NMUR1CTSDCTSEBACE1
SCHEMBL11773025	0.88	REN (0.51)	NMUR2NMUR1CTSDCTSEBACE1
SCHEMBL11773078	0.88	REN (0.51)	NMUR2NMUR1CTSDCTSEBACE1
SCHEMBL11774056	0.86	F2 (0.48)	NMUR2NMUR1CTSDCTSEBACE1
SCHEMBL11774028	0.86	F2 (0.48)	NMUR2NMUR1CTSDCTSEBACE1
SCHEMBL11774767	0.85	REN (0.52)	REN

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-3960828-A	Catalytic hydrogenolysis of protected sulfur containing peptides	THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US)	1976-06-01	—	—	US	disclosed