SCHEMBL31049832

CCCCCC[C@](N)(CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	6/20	0.39

▸	NMUR2	Q9GZQ4	3/20	0.37

▸	NMUR1	Q9HB89	3/20	0.37

▸	MAPK8	P45983	1/20	0.37

▸	MAPK9	P45984	1/20	0.37

▸	MAPK10	P53779	1/20	0.37

▸	F2	P00734	3/20	0.37

▸	GRB2	P62993	1/20	0.36

▸	NPY2R	P49146	1/20	0.35

▸	MMP3	P08254	1/20	0.35

▸	CAPN1	P07384	4/20	0.35

▸	CTSB	P07858	1/20	0.34

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
SCHEMBL31049846	0.95	GRB2 (0.39)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL30856561	0.88	MAPK8 (0.46)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049828	0.88	F2 (0.41)	OPRK1NMUR2NMUR1MAPK8MAPK9
SCHEMBL31049833	0.87	SLC6A2 (0.45)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049847	0.85	MAPK8 (0.41)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049830	0.84	NMUR2 (0.39)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049839	0.83	MAPK8 (0.38)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049836	0.82	IL23R (0.43)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31490515	0.77	MAPK8 (0.54)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL29506914	0.76	MAPK8 (0.51)	NMUR2NMUR1MAPK8MAPK9MAPK10

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
WO-2024165072-A1	POLYPEPTIDE COMPOUND AND USE THEREOF	成都纽瑞特医疗科技股份有限公司	2024-08-15	—	—	WO	disclosed