Demotensin 1

SCHEMBL30312742

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	11/20	1.00

▸	NTSR2	O95665	5/20	0.78

▸	OPRD1	P41143	5/20	0.74

▸	SORT1	Q99523	3/20	0.70

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
SCHEMBL29930119	0.88	NTSR1 (0.87)	NTSR1NTSR2OPRD1SORT1
Dynorphin A (1-11) SCHEMBL30132402	0.87	OPRD1 (0.86)	NTSR1NTSR2OPRD1SORT1
Analog Of Dynorphin A SCHEMBL29389694	0.87	OPRD1 (0.86)	NTSR1NTSR2OPRD1SORT1
SCHEMBL30472155	0.86	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL29416842	0.86	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL29398203	0.86	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL29878209	0.86	OPRD1 (0.85)	NTSR1NTSR2OPRD1SORT1
SCHEMBL31009049	0.85	OPRD1 (0.88)	NTSR1NTSR2OPRD1
SCHEMBL29648931	0.85	OPRD1 (0.90)	NTSR1NTSR2OPRD1
SCHEMBL30312779	0.83	NTSR1 (0.72)	NTSR1NTSR2SORT1

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
US-11612667-B2	Enhanced in vivo targeting of radiolabelled peptides with the means of enzyme inhibitors	ADVANCED ACCELERATOR APPLICATIONS USA INC (US)	2023-03-28	—	—	US	disclosed