SCHEMBL30865079

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

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.58

▸	KISS1R	Q969F8	5/20	0.52

▸	BACE2	Q9Y5Z0	3/20	0.51

▸	NPY1R	P25929	1/20	0.49

▸	NPY2R	P49146	1/20	0.49

▸	NPY4R	P50391	1/20	0.49

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
SCHEMBL30184408	0.98	BACE1 (0.56)	BACE1KISS1RBACE2NPY1RNPY2R
SCHEMBL31690550	0.96	KISS1R (0.56)	BACE1KISS1RBACE2
SCHEMBL30184172	0.95	KISS1R (0.53)	BACE1KISS1RBACE2NPY1RNPY2R
SCHEMBL29678306	0.93	KISS1R (0.56)	BACE1KISS1RBACE2
SCHEMBL31690551	0.93	KISS1R (0.56)	BACE1KISS1RBACE2
SCHEMBL30865069	0.93	KISS1R (0.54)	BACE1KISS1RNPY1RNPY2RNPY4R
SCHEMBL31696338	0.91	BACE1 (0.67)	BACE1KISS1RBACE2
SCHEMBL29627568	0.89	KISS1R (0.54)	BACE1KISS1RBACE2
SCHEMBL30752385	0.89	VIPR1 (0.52)	BACE1KISS1R
SCHEMBL30752387	0.89	VIPR1 (0.52)	BACE1KISS1R

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