SCHEMBL31422680

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

nearest known ligand 0.47

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	3/20	0.47

▸	RAMP3	O60896	4/20	0.46

▸	CALCR	P30988	4/20	0.46

▸	TFPI	P10646	1/20	0.45

▸	VIPR1	P32241	2/20	0.44

▸	BACE1	P56817	1/20	0.43

▸	VIPR2	P41587	2/20	0.43

▸	GRIN2D	O15399	1/20	0.42

▸	GRIN3B	O60391	1/20	0.42

▸	GRIN1	Q05586	1/20	0.42

▸	GRIN2A	Q12879	1/20	0.42

▸	GRIN2B	Q13224	1/20	0.42

▸	GRIN2C	Q14957	1/20	0.42

▸	GRIN3A	Q8TCU5	1/20	0.42

▸	NPY4R	P50391	1/20	0.41

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
SCHEMBL31307257	0.94	KISS1R (0.50)	KISS1RTFPIVIPR1BACE1VIPR2
SCHEMBL31307247	0.93	KISS1R (0.49)	KISS1RTFPIVIPR1BACE1VIPR2
SCHEMBL31307230	0.93	KISS1R (0.48)	KISS1RVIPR1BACE1VIPR2NPY4R
SCHEMBL31410839	0.91	BACE1 (0.48)	KISS1RVIPR1BACE1VIPR2NPY4R
SCHEMBL17948330	0.89	KISS1R (0.46)	KISS1RNPY4R
SCHEMBL30140921	0.89	TFPI (0.48)	RAMP3CALCRTFPIVIPR1VIPR2
SCHEMBL30092982	0.89	NPY4R (0.48)	KISS1RNPY4R
SCHEMBL31605454	0.87	NPY4R (0.48)	KISS1RRAMP3CALCRBACE1NPY4R
SCHEMBL30768183	0.87	BACE1 (0.53)	TFPIBACE1NPY4R
SCHEMBL30974368	0.87	ENPEP (0.48)	KISS1RVIPR1BACE1VIPR2GRIN2D

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-12241112-B2	D-glucaric acid producing bacterium, and method for manufacturing D-glucaric acid	ENSUIKO SUGAR REFINING CO., LTD. (JP)	2025-03-04	—	—	US	disclosed