SCHEMBL30865068

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.58

▸	NPY4R	P50391	11/20	0.54

▸	NPY1R	P25929	7/20	0.54

▸	IL23R	Q5VWK5	6/20	0.54

▸	NPY2R	P49146	5/20	0.54

▸	NPY5R	Q15761	5/20	0.54

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	OPRK1	P41145	1/20	0.53

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
SCHEMBL30184327	0.99	TFPI (0.60)	TFPINPY4RNPY1RIL23RNPY2R
SCHEMBL30865075	0.99	TFPI (0.60)	TFPINPY4RNPY1RIL23RNPY2R
SCHEMBL30865071	0.94	TFPI (0.61)	TFPINPY4RNPY1RIL23RNPY2R
SCHEMBL30184264	0.94	TFPI (0.62)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL12359225	0.93	TFPI (0.61)	TFPIIL23R
SCHEMBL13912288	0.93	TFPI (0.61)	TFPIIL23R
SCHEMBL16015184	0.93	TFPI (0.61)	TFPIIL23R
SCHEMBL2881677	0.93	TFPI (0.61)	TFPIIL23R
SCHEMBL13342836	0.93	TFPI (0.61)	TFPIIL23R
SCHEMBL13324659	0.93	TFPI (0.61)	TFPIIL23R

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-20240041986-A1	METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF TYPE 1 DIABETES	DR. MARY MORRIS & ASSOCIATES, LLC (US)	2024-02-08	—	—	US	disclosed