SCHEMBL31003039

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	11/20	0.61

▸	BACE1	P56817	4/20	0.59

▸	ERAP2	Q6P179	1/20	0.54

▸	CCKBR	P32239	1/20	0.54

▸	EDNRA	P25101	1/20	0.54

▸	ERBB2	P04626	1/20	0.54

▸	CTSB	P07858	1/20	0.53

▸	CTSK	P43235	1/20	0.53

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
SCHEMBL29804700	0.90	KISS1R (0.66)	KISS1RBACE1ERAP2EDNRA
SCHEMBL30620989	0.89	ERAP2 (0.61)	KISS1RBACE1ERAP2CTSBCTSK
SCHEMBL30788012	0.89	ERAP2 (0.64)	ERAP2CCKBREDNRA
SCHEMBL29436288	0.88	KISS1R (0.59)	KISS1RBACE1ERAP2ERBB2CTSB
SCHEMBL30511101	0.88	ERAP2 (0.61)	ERAP2CCKBR
SCHEMBL29804818	0.87	KISS1R (0.63)	KISS1RBACE1ERAP2ERBB2
SCHEMBL30799582	0.86	OPRD1 (0.56)	CCKBRERBB2
SCHEMBL30799526	0.86	ERAP2 (0.60)	ERAP2CCKBR
SCHEMBL30799826	0.86	GHSR (0.57)	BACE1CCKBR
SCHEMBL30123045	0.86	ECE1 (0.62)	KISS1RERAP2

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-2024175930-A1	COMPOUNDS	IP2IPO INNOVATIONS LIMITED (GB)	2024-08-29	—	—	WO	disclosed