SCHEMBL30855563

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

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.56

▸	VIPR2	P41587	6/20	0.53

▸	VIPR1	P32241	4/20	0.53

▸	NPY5R	Q15761	4/20	0.52

▸	NPY1R	P25929	3/20	0.52

▸	NPY4R	P50391	3/20	0.52

▸	IL23R	Q5VWK5	2/20	0.52

▸	NPY2R	P49146	1/20	0.50

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
SCHEMBL30536310	0.88	TFPI (0.61)	TFPIVIPR2VIPR1NPY5RNPY1R
SCHEMBL30414079	0.86	TFPI (0.63)	TFPIVIPR2VIPR1IL23R
SCHEMBL30412542	0.86	TFPI (0.59)	TFPIIL23R
SCHEMBL30787045	0.86	NPY4R (0.52)	TFPINPY5RNPY1RNPY4RIL23R
SCHEMBL30414195	0.86	TFPI (0.55)	TFPIIL23R
SCHEMBL30413562	0.86	TFPI (0.55)	TFPIIL23R
SCHEMBL30242275	0.85	TFPI (0.60)	TFPIVIPR2VIPR1NPY5RNPY1R
SCHEMBL30958545	0.84	NPY4R (0.59)	NPY5RNPY1RNPY4RNPY2R
SCHEMBL29663842	0.84	TFPI (0.57)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL29463776	0.84	NPY4R (0.58)	NPY5RNPY1RNPY4RIL23RNPY2R

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-3218013-B1	MOLECULAR PROBES FOR DETECTING GRAM-NEGATIVE BACTERIA IN VITRO AND IN VIVO	UNIV COURT UNIV OF EDINBURGH (GB)	2024-04-17	—	—	EP	disclosed