SCHEMBL30643194

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

nearest known ligand 0.56

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	5/20	0.56

▸	BACE2	Q9Y5Z0	4/20	0.56

▸	PTPN1	P18031	3/20	0.53

▸	KISS1R	Q969F8	4/20	0.52

▸	NPY4R	P50391	4/20	0.51

▸	NPY1R	P25929	3/20	0.51

▸	NPY2R	P49146	3/20	0.51

▸	NPY5R	Q15761	3/20	0.51

▸	IL1RN	P18510	1/20	0.51

▸	ERAP2	Q6P179	1/20	0.51

▸	KEAP1	Q14145	1/20	0.50

▸	OPRM1	P35372	1/20	0.50

▸	OPRD1	P41143	1/20	0.50

▸	OPRK1	P41145	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
SCHEMBL30643193	0.93	OPRM1 (0.58)	BACE1BACE2PTPN1NPY4RNPY1R
SCHEMBL31284997	0.90	IL1RN (0.55)	BACE1BACE2KISS1RNPY4RNPY1R
SCHEMBL30124163	0.89	IL1RN (0.52)	BACE1BACE2KISS1RNPY4RNPY1R
SCHEMBL30867025	0.85	NPY4R (0.56)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL9545177	0.85	BACE1 (0.51)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL9545184	0.85	BACE1 (0.51)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30973981	0.84	NPY4R (0.56)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31538481	0.83	BACE1 (0.57)	BACE1BACE2KISS1ROPRM1OPRD1
SCHEMBL32665667	0.83	MME (0.51)	BACE1
SCHEMBL30343610	0.83	NAALAD2 (0.54)	BACE1BACE2NPY4RNPY1RNPY2R

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
WO-2023212841-A1	A KIND OF POLYPEPTIDE ANALOG WITH HAIR GROWTH EFFECT	WENZHOU MEDICAL UNIVERSITY (CN)	2023-11-09	—	—	WO	claimed