SCHEMBL29972794

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TACR3	P29371	5/20	0.56

▸	CCKAR	P32238	6/20	0.47

▸	CCKBR	P32239	4/20	0.47

▸	CRHR1	P34998	1/20	0.42

▸	CRHR2	Q13324	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
SCHEMBL29972926	0.90	CCKAR (0.49)	CCKARCCKBR
Neurokinin B SCHEMBL29372314	0.85	GRPR (0.53)	CCKARCCKBRCRHR1CRHR2
SCHEMBL29972919	0.83	F2 (0.55)	CRHR1CRHR2
SCHEMBL29635518	0.81	APLNR (0.48)	CRHR1CRHR2
SCHEMBL30350156	0.81	TACR3 (0.57)	TACR3
SCHEMBL29941145	0.81	CCKAR (0.42)	TACR3CCKARCCKBRCRHR1CRHR2
Senktide SCHEMBL5238634	0.80	TACR3 (0.82)	TACR3CCKARCCKBR
SCHEMBL29398077	0.80	CCKAR (0.47)	CCKARCCKBR
SCHEMBL30209471	0.79	OPRM1 (0.54)	TACR3CCKARCCKBR
SCHEMBL29973249	0.79	OPRD1 (0.49)	—

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed