SCHEMBL30865069

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

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.54

▸	OPRM1	P35372	3/20	0.51

▸	OPRD1	P41143	3/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	NPY1R	P25929	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	BACE1	P56817	1/20	0.49

▸	NTSR2	O95665	4/20	0.48

▸	NTSR1	P30989	4/20	0.48

▸	VIPR1	P32241	1/20	0.47

▸	SORT1	Q99523	1/20	0.47

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
SCHEMBL30184172	0.97	KISS1R (0.53)	KISS1ROPRM1OPRD1OPRK1NPY1R
SCHEMBL31690551	0.95	KISS1R (0.56)	KISS1RBACE1VIPR1
SCHEMBL29678306	0.95	KISS1R (0.56)	KISS1RBACE1VIPR1
SCHEMBL30184408	0.94	BACE1 (0.56)	KISS1ROPRM1OPRD1OPRK1NPY1R
SCHEMBL30865079	0.93	BACE1 (0.58)	KISS1RNPY1RNPY2RNPY4RBACE1
SCHEMBL31690550	0.92	KISS1R (0.56)	KISS1RBACE1VIPR1
SCHEMBL29627568	0.88	KISS1R (0.54)	KISS1RBACE1VIPR1
SCHEMBL30712758	0.87	VIPR1 (0.50)	KISS1RBACE1VIPR1
SCHEMBL31556395	0.86	ACE (0.53)	KISS1RNPY1RNPY2RNPY4RBACE1
SCHEMBL31622480	0.86	VIPR1 (0.52)	KISS1RBACE1VIPR1

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