SCHEMBL30400968

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.63

▸	SLC6A2	P23975	1/20	0.61

▸	REN	P00797	2/20	0.60

▸	OPRM1	P35372	3/20	0.56

▸	RAMP1	O60894	1/20	0.54

▸	NTSR2	O95665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	SORT1	Q99523	1/20	0.54

▸	OPRD1	P41143	1/20	0.54

▸	OPRK1	P41145	1/20	0.54

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
SCHEMBL29357182	0.97	SLC6A2 (0.63)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL30020377	0.94	SLC6A2 (0.68)	CALCRLSLC6A2RENOPRM1RAMP1
SCHEMBL16316739	0.93	SLC6A2 (0.63)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL16316788	0.92	CALCRL (0.63)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL6515635	0.92	SLC6A2 (0.69)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL6515614	0.92	SLC6A2 (0.69)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL13311808	0.90	SLC6A2 (0.60)	CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL29722166	0.89	CALCRL (0.60)	CALCRLSLC6A2RENNTSR2NTSR1
SCHEMBL6886172	0.88	SLC6A2 (0.72)	CALCRLSLC6A2RENOPRM1RAMP1
SCHEMBL6886178	0.88	SLC6A2 (0.72)	CALCRLSLC6A2RENOPRM1RAMP1

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
CN-116082505-A	Binding members for PD-L1	细胞医学公司	2023-05-09	—	—	CN	disclosed