SCHEMBL30512724

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

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.58

▸	KISS1R	Q969F8	2/20	0.49

▸	TFPI	P10646	1/20	0.49

▸	VIPR2	P41587	3/20	0.47

▸	VIPR1	P32241	1/20	0.47

▸	NTSR2	O95665	1/20	0.47

▸	NTSR1	P30989	1/20	0.47

▸	OXTR	P30559	1/20	0.47

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
SCHEMBL29836289	0.88	TFPI (0.58)	F2TFPIVIPR2VIPR1
SCHEMBL30844087	0.85	TFPI (0.57)	F2TFPIVIPR2VIPR1
SCHEMBL29611819	0.85	F2 (0.59)	F2NTSR2NTSR1
SCHEMBL31307279	0.85	BACE1 (0.52)	F2KISS1R
SCHEMBL30168728	0.85	TFPI (0.58)	F2TFPIVIPR2VIPR1
SCHEMBL29367381	0.84	OPRD1 (0.55)	—
SCHEMBL30512509	0.84	F2 (0.54)	F2KISS1R
SCHEMBL24516989	0.84	F2 (0.56)	F2NTSR2NTSR1
SCHEMBL29413128	0.84	KISS1R (0.51)	KISS1ROXTR
SCHEMBL1374043	0.84	OPRD1 (0.47)	—

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
CN-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed