SCHEMBL30118952

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

nearest known ligand 0.59

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.49

▸	VIPR2	P41587	6/20	0.45

▸	VIPR1	P32241	3/20	0.45

▸	BACE1	P56817	1/20	0.44

▸	ENPEP	Q07075	4/20	0.43

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
SCHEMBL29596003	0.94	F2 (0.43)	RXFP1VIPR2VIPR1ENPEP
SCHEMBL30182744	0.92	VIPR2 (0.51)	VIPR2VIPR1
SCHEMBL30182696	0.91	VIPR2 (0.47)	VIPR2VIPR1ENPEP
SCHEMBL30182861	0.91	VIPR2 (0.54)	VIPR2VIPR1
SCHEMBL30262107	0.90	RXFP1 (0.54)	RXFP1VIPR2VIPR1
SCHEMBL31022845	0.90	ENPEP (0.50)	RXFP1VIPR2VIPR1ENPEP
SCHEMBL30463291	0.89	CPB2 (0.42)	RXFP1
SCHEMBL30730451	0.89	NPY4R (0.43)	RXFP1VIPR2VIPR1BACE1
SCHEMBL29934217	0.89	ENPEP (0.50)	BACE1ENPEP
SCHEMBL30197540	0.89	NPY5R (0.43)	BACE1ENPEP

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-113061190-B	HIV N peptide fusion peptide inhibitor MTQ-N36 and application thereof	哈尔滨医科大学	2022-12-13	—	—	CN	disclosed