SCHEMBL30085018

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	13/20	0.47

▸	NTSR2	O95665	10/20	0.47

▸	SORT1	Q99523	8/20	0.47

▸	REN	P00797	1/20	0.46

▸	F2	P00734	2/20	0.45

▸	OPRM1	P35372	1/20	0.45

▸	OPRD1	P41143	1/20	0.45

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
SCHEMBL30175379	0.97	F2 (0.47)	NTSR1NTSR2SORT1F2
SCHEMBL30426891	0.90	CXCR4 (0.47)	OPRM1OPRD1
SCHEMBL30432915	0.85	CALCRL (0.50)	F2
SCHEMBL30199802	0.85	NPY2R (0.53)	F2
SCHEMBL30067143	0.84	NTSR2 (0.51)	NTSR1NTSR2SORT1REN
SCHEMBL29576733	0.84	NTSR2 (0.51)	NTSR1NTSR2SORT1REN
SCHEMBL29375390	0.84	CALCRL (0.48)	OPRM1OPRD1
SCHEMBL31461906	0.84	F2 (0.47)	NTSR1NTSR2SORT1F2OPRM1
SCHEMBL30525434	0.82	CALCRL (0.50)	RENOPRM1
SCHEMBL30071482	0.82	CALCRL (0.45)	OPRM1OPRD1

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
EP-4090383-A2	IL2 ORTHOLOGS AND METHODS OF USE	Synthekine, Inc. (US)	2022-11-23	—	—	EP	disclosed