SCHEMBL29467916

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	11/20	0.62

▸	PTH1R	Q03431	7/20	0.58

▸	GHSR	Q92847	1/20	0.57

▸	IL23R	Q5VWK5	1/20	0.54

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
SCHEMBL31279447	0.89	IL23R (0.52)	CXCR4PTH1RIL23R
SCHEMBL31278659	0.88	IL23R (0.52)	CXCR4GHSRIL23R
SCHEMBL31258132	0.86	KISS1R (0.64)	IL23R
SCHEMBL31277903	0.83	UTS2R (0.64)	GHSR
SCHEMBL31433202	0.83	IL23R (0.64)	IL23R
SCHEMBL29965711	0.83	CXCR4 (0.56)	CXCR4IL23R
SCHEMBL30895017	0.81	IL23R (0.56)	CXCR4GHSRIL23R
SCHEMBL14511692	0.81	MC4R (0.71)	GHSRIL23R
SCHEMBL11683486	0.81	IL23R (0.60)	IL23R
SCHEMBL11683502	0.81	IL23R (0.60)	IL23R

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
EP-3973981-A1	HUWENTOXIN-IV VARIANTS AND METHODS OF USE	Janssen Biotech, Inc. (US)	2022-03-30	—	—	EP	disclosed