SCHEMBL30903271

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	4/20	0.53

▸	OPRM1	P35372	4/20	0.49

▸	OPRD1	P41143	4/20	0.49

▸	BACE1	P56817	2/20	0.49

▸	OPRK1	P41145	2/20	0.49

▸	BACE2	Q9Y5Z0	1/20	0.49

▸	GLP1R	P43220	1/20	0.49

▸	GCGR	P47871	1/20	0.49

▸	GIPR	P48546	1/20	0.49

▸	TFPI	P10646	1/20	0.48

▸	VIPR2	P41587	1/20	0.48

▸	CALCR	P30988	1/20	0.47

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
SCHEMBL29461526	0.93	IL23R (0.53)	IL23ROPRM1OPRD1BACE1OPRK1
SCHEMBL30903269	0.93	IL23R (0.53)	IL23ROPRM1OPRD1BACE1OPRK1
SCHEMBL29811053	0.93	IL23R (0.59)	IL23ROPRM1OPRD1BACE1OPRK1
SCHEMBL31415939	0.89	OPRM1 (0.53)	OPRM1OPRD1BACE1OPRK1BACE2
SCHEMBL29836442	0.88	TFPI (0.55)	IL23ROPRM1OPRD1BACE1OPRK1
SCHEMBL29696462	0.88	OPRM1 (0.60)	IL23ROPRM1OPRD1OPRK1TFPI
SCHEMBL29723863	0.87	NPY1R (0.50)	IL23ROPRM1OPRD1OPRK1
SCHEMBL30512497	0.86	BACE1 (0.53)	IL23ROPRM1OPRD1BACE1OPRK1
SCHEMBL10428706	0.86	IL23R (0.54)	IL23RGLP1RGCGRGIPRTFPI
SCHEMBL30880889	0.86	BACE1 (0.54)	BACE1BACE2GLP1RGCGRGIPR

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
US-20240148849-A1	IMMUNOGENIC COMPOSITION, USE AND METHODS	GLAXOSMITHKLINE BIOLOGICALS SA (BE)	2024-05-09	—	—	US	disclosed