SCHEMBL30498023

CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	9/20	0.62

▸	OPRK1	P41145	9/20	0.62

▸	OPRD1	P41143	5/20	0.61

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

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
SCHEMBL29708093	0.91	OPRM1 (0.65)	OPRM1OPRK1OPRD1
SCHEMBL30498028	0.91	OPRM1 (0.65)	OPRM1OPRK1OPRD1
SCHEMBL30498024	0.89	OPRD1 (0.62)	OPRM1OPRK1OPRD1
SCHEMBL31291033	0.86	NPY1R (0.60)	OPRM1OPRK1OPRD1
SCHEMBL6232463	0.86	NTSR2 (0.64)	MAPK8MAPK9MAPK10
SCHEMBL6232455	0.86	NTSR2 (0.64)	MAPK8MAPK9MAPK10
SCHEMBL1421525	0.85	NTSR1 (0.72)	OPRM1OPRK1OPRD1
SCHEMBL1421888	0.85	OPRD1 (0.69)	OPRM1OPRK1OPRD1
SCHEMBL1421513	0.85	NTSR1 (0.72)	OPRM1OPRK1OPRD1
SCHEMBL1421598	0.85	NTSR1 (0.72)	OPRM1OPRK1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3578566-B1	BIOCIDAL PEPTIDE AND PREPARATION BASED THEREON	VERTA RES PRODUCTION COMPANY LTD (RU)	2023-07-19	—	—	EP	claimed
EP-3578566-B1	BIOCIDAL PEPTIDE AND PREPARATION BASED THEREON	VERTA RES PRODUCTION COMPANY LTD (RU)	2023-07-19	—	—	EP	disclosed