SCHEMBL30865071

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

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	NPY4R	P50391	9/20	0.56

▸	NPY5R	Q15761	8/20	0.56

▸	NPY1R	P25929	7/20	0.56

▸	NPY2R	P49146	5/20	0.56

▸	IL23R	Q5VWK5	6/20	0.56

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

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	0.96	TFPI (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30865075	0.96	TFPI (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30865068	0.94	TFPI (0.58)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30184264	0.93	TFPI (0.62)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30184205	0.92	OPRM1 (0.61)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30865074	0.90	NPY4R (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30184401	0.89	NPY4R (0.53)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30880890	0.89	NPY4R (0.54)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29412269	0.89	NPY4R (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29470903	0.88	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1

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