SCHEMBL31070919

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.74

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	10/20	0.74

▸	AVPR2	P30518	6/20	0.74

▸	AVPR1B	P47901	6/20	0.74

▸	AVPR1A	P37288	5/20	0.74

▸	PTGS1	P23219	1/20	0.74

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
Desmopressin SCHEMBL13775933	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL10053268	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL21131126	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL22510	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL15933169	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
SCHEMBL23382246	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL2687079	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL14027607	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL29317578	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1
Desmopressin SCHEMBL13575732	0.93	OXTR (0.85)	OXTRAVPR2AVPR1BAVPR1APTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3655036-B1	COMPOSITIONS FOR TREATING STRESS-RELATED DISORDERS	HOFFMAN TECH LLC (US)	2024-09-04	—	—	EP	claimed
EP-3655036-B1	COMPOSITIONS FOR TREATING STRESS-RELATED DISORDERS	HOFFMAN TECH LLC (US)	2024-09-04	—	—	EP	disclosed