Ceruletide

SCHEMBL20775134

C/C=C/C(=O)N(CC)c1ccccc1C.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.Nc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Ceruletide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	CCKAR known ✓	P32238	9/20	0.52

▸	CCKBR	P32239	15/20	0.52

▸	IL23R	Q5VWK5	2/20	0.46

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
Ceruletide SCHEMBL29520	0.86	CCKBR (0.69)	CCKBRCCKARIL23R
Ceruletide SCHEMBL23148172	0.86	CCKBR (0.69)	CCKBRCCKARIL23R
Ceruletide SCHEMBL8963088	0.86	CCKBR (0.67)	CCKBRCCKARIL23R
Ceruletide SCHEMBL122757	0.85	CCKBR (0.66)	CCKBRCCKARIL23R
Ceruletide SCHEMBL511740	0.85	CCKBR (0.62)	CCKBRCCKARIL23R
Ceruletide SCHEMBL6836302	0.82	CCKBR (0.62)	CCKBRCCKARIL23R
Ceruletide SCHEMBL20774551	0.79	CCKBR (0.58)	CCKBRCCKARIL23R
SCHEMBL11217188	0.78	CCKBR (0.64)	CCKBRCCKARIL23R
Caerulin SCHEMBL29597850	0.74	CCKBR (0.80)	CCKBRCCKARIL23R
Ceruletide SCHEMBL8200799	0.73	CCKBR (0.50)	CCKBRCCKARIL23R

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-2019046303-A1	A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY	THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US)	2019-03-07	—	—	WO	disclosed