SCHEMBL24915538

CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)Cc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	16/20	0.59

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	MMP2	P08253	1/20	0.51

▸	MMP9	P14780	1/20	0.51

▸	MMP8	P22894	1/20	0.51

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
SCHEMBL15929992	0.83	KISS1R (0.65)	KISS1RNPY1RNPY2RNPY4R
SCHEMBL15930229	0.82	KISS1R (0.64)	KISS1R
SCHEMBL21929719	0.81	MMP9 (0.64)	MMP2MMP9MMP8
SCHEMBL30418018	0.79	OPRM1 (0.59)	KISS1RNPY1RNPY2RNPY4R
SCHEMBL30845356	0.79	KISS1R (0.69)	KISS1R
SCHEMBL10036277	0.78	ECE1 (0.59)	MMP2MMP9MMP8
SCHEMBL12641918	0.78	ECE1 (0.59)	MMP2MMP9MMP8
SCHEMBL16656724	0.78	ECE1 (0.67)	MMP2MMP9MMP8
SCHEMBL31196546	0.78	OPRM1 (0.59)	KISS1RNPY1RNPY2RNPY4R
SCHEMBL18909648	0.77	ECE1 (0.69)	MMP2MMP9MMP8

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-2023004240-A1	MACROCYLIC IMMUNOMODULATORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2023-01-26	—	—	WO	disclosed