SCHEMBL31069955

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	10/20	0.51

▸	CCKBR	P32239	8/20	0.51

▸	CCKAR	P32238	7/20	0.51

▸	CTSS	P25774	1/20	0.47

▸	CTSK	P43235	1/20	0.47

▸	REN	P00797	1/20	0.47

▸	OPRM1	P35372	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
SCHEMBL31069951	0.98	OPRD1 (0.49)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL31069957	0.92	CTSS (0.52)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL31069959	0.91	CTSS (0.50)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL31069954	0.91	OPRD1 (0.51)	OPRD1CCKBRCCKAR
SCHEMBL31181954	0.88	CTSS (0.52)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL31069950	0.85	ACE (0.56)	CTSSCTSKREN
SCHEMBL29472194	0.85	CTSS (0.54)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL29472199	0.81	F2 (0.48)	OPRD1CCKBRCCKARCTSSCTSK
SCHEMBL29635277	0.80	BACE1 (0.53)	OPRD1CCKBRCCKAROPRM1
SCHEMBL29472204	0.79	CTSS (0.60)	CTSSCTSKREN

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-118684732-A	Method for preparing AT-01 by liquid phase fragment condensation	南通大学	2024-09-24	—	—	CN	disclosed