SCHEMBL30387715

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	11/20	0.62

▸	PTGS1	P23219	1/20	0.61

▸	GNRHR	P30968	2/20	0.59

▸	CXCR4	P61073	3/20	0.59

▸	ABCC2	Q92887	1/20	0.59

▸	C5AR1	P21730	1/20	0.57

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
SCHEMBL29619534	0.94	GNRHR (0.65)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL30567819	0.93	KISS1R (0.64)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11096187	0.93	KISS1R (0.64)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11122441	0.93	KISS1R (0.64)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11126892	0.93	KISS1R (0.64)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11270601	0.93	KISS1R (0.64)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL5167427	0.92	KISS1R (0.67)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL5167437	0.92	KISS1R (0.67)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11321166	0.92	GNRHR (0.63)	KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL29459909	0.92	C5AR1 (0.67)	KISS1RPTGS1GNRHRCXCR4C5AR1

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
EP-3570866-B1	NOVEL USE OF KNOWN COMPOUNDS- INTRACELLULAR INFECTIONS	ISR IMMUNE SYSTEM REGULATION HOLDING AB PUBL (SE)	2023-05-10	—	—	EP	disclosed