SCHEMBL30512600

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ENPEP	Q07075	6/20	0.49

▸	BACE1	P56817	2/20	0.47

▸	VIPR1	P32241	4/20	0.46

▸	VIPR2	P41587	6/20	0.44

▸	MAPK8	P45983	1/20	0.42

▸	MAPK9	P45984	1/20	0.42

▸	MAPK10	P53779	1/20	0.42

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
SCHEMBL30648452	0.90	BACE1 (0.48)	BACE1VIPR1VIPR2
SCHEMBL20764543	0.89	BACE1 (0.46)	BACE1VIPR1
SCHEMBL23273237	0.89	BACE1 (0.45)	BACE1VIPR1
SCHEMBL31257025	0.88	BACE1 (0.49)	ENPEPBACE1VIPR1VIPR2
SCHEMBL29473709	0.88	VIPR1 (0.46)	ENPEPVIPR1VIPR2
SCHEMBL29489378	0.86	VIPR1 (0.50)	BACE1VIPR1VIPR2
SCHEMBL29500481	0.86	VIPR2 (0.49)	ENPEPBACE1VIPR1VIPR2
SCHEMBL29406555	0.86	VIPR2 (0.49)	ENPEPBACE1VIPR1VIPR2
SCHEMBL30712884	0.86	VIPR1 (0.57)	BACE1VIPR1VIPR2
SCHEMBL29463703	0.85	KISS1R (0.49)	ENPEPVIPR1VIPR2MAPK8MAPK9

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