SCHEMBL29550137

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	10/20	0.48

▸	OPRM1	P35372	9/20	0.48

▸	OPRK1	P41145	2/20	0.46

▸	PSMB1	P20618	1/20	0.43

▸	PSMB8	P28062	1/20	0.43

▸	PSMB9	P28065	1/20	0.43

▸	PSMB5	P28074	1/20	0.43

▸	PSMB10	P40306	1/20	0.43

▸	PSMB2	P49721	1/20	0.43

▸	CHRNA1	P02708	2/20	0.42

▸	CHRNG	P07510	2/20	0.42

▸	CHRNB1	P11230	2/20	0.42

▸	CHRND	Q07001	2/20	0.42

▸	KISS1R	Q969F8	1/20	0.40

▸	GRIA1	P42261	1/20	0.40

▸	IL23R	Q5VWK5	1/20	0.40

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
SCHEMBL30728852	0.86	OPRM1 (0.52)	OPRD1OPRM1OPRK1KISS1R
SCHEMBL29986177	0.86	OPRM1 (0.52)	OPRD1OPRM1OPRK1KISS1R
SCHEMBL21246653	0.84	OPRD1 (0.42)	OPRD1OPRM1OPRK1CHRNA1CHRNG
SCHEMBL25626461	0.83	ACE (0.48)	OPRM1
SCHEMBL30148136	0.83	OPRD1 (0.53)	OPRD1OPRM1KISS1RIL23R
SCHEMBL30974312	0.82	OPRD1 (0.63)	OPRD1OPRM1OPRK1
SCHEMBL30974418	0.81	OPRD1 (0.53)	OPRD1OPRM1OPRK1IL23R
SCHEMBL259178	0.80	SLC15A2 (0.38)	—
SCHEMBL259179	0.80	SLC15A2 (0.38)	—
SCHEMBL31256977	0.80	OPRD1 (0.59)	OPRD1OPRM1OPRK1

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-2022068078-A1	ANTI-HUMAN CXCL-2 MONOCLONAL ANTIBODY 3-D3, AND CODING GENE AND USE THEREOF	浙江大学	2022-04-07	—	—	WO	disclosed